Chemical ID: 6622368

CCc1c(c2ccccc2o1)C(=O)c3ccc(cc3)O
Chemical ID:
6622368
Name [?]:
(2-ethylbenzofuran-3-yl)-(4-hydroxyphenyl)-methanone
SMILES [?]:
CCc1c(c2ccccc2o1)C(=O)c3ccc(cc3)O
InChi [?]:
InChI=1/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,9,15,19,16,18,14,17,5,3,10,4,12,20,13,11/E:(7,8)(9,10)/rA:20nCCCCCCCCCCOCOCCCCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.21632
Area:455.639
Solvation:-3.17466
Coulombic:-33.5985
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.291
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.62
LogP (Chemaxon):4.05

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Descriptor Annotations

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