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Chemical ID: 6486213

COc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)C3CCCCC3

Chemical ID:

6486213

Name [?]:

[4-[3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenyl] cyclohexanecarboxylate

SMILES [?]:

COc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)C3CCCCC3

InChi [?]:

InChI=1/C23H24O4/c1-26-20-14-10-18(11-15-20)22(24)16-9-17-7-12-21(13-8-17)27-23(25)19-5-3-2-4-6-19/h7-16,19H,2-6H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,24,26,23,27,14,18,12,5,7,15,17,4,8,11,13,6,22,3,16,9,20,10,21,2,19/E:(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:27nCOCCCCCCCOCCCCCCCCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄O₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6094
Area:	595.61
Solvation:	-4.28087
Coulombic:	-36.0236

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	364.434
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.46
LogP (Chemaxon):	5.13

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value