(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone

C17H14O3 — CID 12573980

IUPAC(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1c(C(=O)c2ccc(O)cc2)oc2ccccc12
InChIInChI=1S/C17H14O3/c1-2-13-14-5-3-4-6-15(14)20-17(13)16(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
InChIKeyYKTKSGMDYIJVFC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.93
Rot. Bonds3

About (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone

(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone (PubChem CID 12573980) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
PubChem CID12573980
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1c(C(=O)c2ccc(O)cc2)oc2ccccc12
InChIInChI=1S/C17H14O3/c1-2-13-14-5-3-4-6-15(14)20-17(13)16(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
InChIKeyYKTKSGMDYIJVFC-UHFFFAOYSA-N
XLogP3.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
CID 21435341
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone
CID 1476424
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
1-(3-ethyl-1-benzofuran-2-yl)-3,3-dimethoxypropan-1-one
CID 115480642
[3-(3-butoxy-3-hydroxy-2-methylpropyl)-1-benzofuran-2-yl]-phenylmethanone
CID 123280440
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone
CID 139050398
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone (CID 12573980) is (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone is CCc1c(C(=O)c2ccc(O)cc2)oc2ccccc12.
What is the InChIKey of (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is YKTKSGMDYIJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-13-14-5-3-4-6-15(14)20-17(13)16(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3.
What are the key properties of (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 266.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 12573980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).