[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone

C21H13ClO3 — CID 21435341

IUPAC[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1oc2ccccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClO3/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)25-21(19)20(24)14-7-11-16(23)12-8-14/h1-12,23H
InChIKeyOOOAEZMRQVCLPH-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.69
Rot. Bonds3

About [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone

[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone (PubChem CID 21435341) has the molecular formula C21H13ClO3 and a molecular weight of 348.79 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
PubChem CID21435341
Molecular FormulaC21H13ClO3
Molecular Weight348.79 g/mol
Exact Mass348.06
IUPAC Name[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1oc2ccccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClO3/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)25-21(19)20(24)14-7-11-16(23)12-8-14/h1-12,23H
InChIKeyOOOAEZMRQVCLPH-UHFFFAOYSA-N
XLogP5.69
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 57336949
[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
CID 21435284
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
[3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
CID 56689772
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone (CID 21435341) is [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1oc2ccccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is OOOAEZMRQVCLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClO3/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)25-21(19)20(24)14-7-11-16(23)12-8-14/h1-12,23H.
What are the key properties of [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone?
[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 348.79 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 21435341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).