(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone

C15H7Cl3O2 — CID 114321311

IUPAC(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc2c(Cl)cccc2o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl3O2/c16-8-4-5-12(18)10(6-8)15(19)14-7-9-11(17)2-1-3-13(9)20-14/h1-7H
InChIKeyCBBVUIWEUMKFMV-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.62
Rot. Bonds2

About (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone

(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone (PubChem CID 114321311) has the molecular formula C15H7Cl3O2 and a molecular weight of 325.58 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
PubChem CID114321311
Molecular FormulaC15H7Cl3O2
Molecular Weight325.58 g/mol
Exact Mass323.95
IUPAC Name(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc2c(Cl)cccc2o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl3O2/c16-8-4-5-12(18)10(6-8)15(19)14-7-9-11(17)2-1-3-13(9)20-14/h1-7H
InChIKeyCBBVUIWEUMKFMV-UHFFFAOYSA-N
XLogP5.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone
CID 114321340
(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
CID 114321295
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 114321321
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
1-(4-chloro-1-benzofuran-2-yl)propan-2-one
CID 117194376

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone (CID 114321311) is (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone is O=C(c1cc2c(Cl)cccc2o1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone?
The InChIKey is CBBVUIWEUMKFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3O2/c16-8-4-5-12(18)10(6-8)15(19)14-7-9-11(17)2-1-3-13(9)20-14/h1-7H.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone?
(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone has a molecular weight of 325.58 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 114321311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).