1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone

C16H11ClO2 — CID 21452748

IUPAC1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H11ClO2/c1-10(18)15-13-9-12(17)7-8-14(13)19-16(15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyRUPCUJRDNIPXKF-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.96
Rot. Bonds2

About 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone

1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone (PubChem CID 21452748) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
PubChem CID21452748
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H11ClO2/c1-10(18)15-13-9-12(17)7-8-14(13)19-16(15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyRUPCUJRDNIPXKF-UHFFFAOYSA-N
XLogP4.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
3-(5-chloro-2-phenyl-1-benzofuran-3-yl)-N,N-diethylbut-2-enamide
CID 72986189
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate
CID 139660117
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one
CID 24905989

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone (CID 21452748) is 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone is CC(=O)c1c(-c2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone?
The InChIKey is RUPCUJRDNIPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-10(18)15-13-9-12(17)7-8-14(13)19-16(15)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone?
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone has a molecular weight of 270.72 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 21452748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).