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Chemical ID: 7040185

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccc(cc3)c4ccccc4

Chemical ID:

7040185

Name [?]:

[2-methoxy-4-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]-phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C30H24O4/c1-21-8-12-26(13-9-21)30(32)34-28-19-11-22(20-29(28)33-2)10-18-27(31)25-16-14-24(15-17-25)23-6-4-3-5-7-23/h3-20H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,32,31,33,30,34,3,7,19,13,4,6,25,27,24,28,20,12,15,2,14,29,26,23,5,21,11,16,8,22,9,17,10/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:34nCCCCCCCCOOCCCCCCOCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₄O₄
All Atoms:	58
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.7422
Area:	727.615
Solvation:	-4.44815
Coulombic:	-41.0591

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	448.509
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	7.37
LogP (Chemaxon):	7.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value