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Chemical ID: 4553934

Chemical ID:

4553934

Name [?]:

4-[5-methyl-3-(p-tolyl)benzofuran-2-yl]butan-2-one

SMILES [?]:

Cc1ccc(cc1)c2c3cc(ccc3oc2CCC(=O)C)C

InChi [?]:

InChI=1/C20H20O2/c1-13-4-8-16(9-5-13)20-17-12-14(2)6-10-18(17)22-19(20)11-7-15(3)21/h4-6,8-10,12H,7,11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,21,3,7,12,18,4,6,13,17,10,2,11,19,5,9,14,16,8,20,15/E:(4,5)(8,9)/rA:22nCCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;d8s15;s16;s17;s18;d19;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.80198
Area:	509.781
Solvation:	-2.94253
Coulombic:	-15.7841

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	292.372
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	4.67
LogP (Chemaxon):	5.44

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