(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone

C16H10Cl2O3 — CID 104666670

IUPAC(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
SMILESCOc1cc(Cl)cc2cc(C(=O)c3cccc(Cl)c3)oc12
InChIInChI=1S/C16H10Cl2O3/c1-20-14-8-12(18)6-10-7-13(21-16(10)14)15(19)9-3-2-4-11(17)5-9/h2-8H,1H3
InChIKeyPCANARPVDVQKAR-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.98
Rot. Bonds3

About (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone

(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone (PubChem CID 104666670) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
PubChem CID104666670
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
SMILESCOc1cc(Cl)cc2cc(C(=O)c3cccc(Cl)c3)oc12
InChIInChI=1S/C16H10Cl2O3/c1-20-14-8-12(18)6-10-7-13(21-16(10)14)15(19)9-3-2-4-11(17)5-9/h2-8H,1H3
InChIKeyPCANARPVDVQKAR-UHFFFAOYSA-N
XLogP4.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
CID 2060035
5-chloro-7-methoxy-1-benzofuran-2-carboxylate
CID 2060034
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(5,7-dichloro-1-benzofuran-2-yl)-phenylmethanone
CID 2728252
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 155803415
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639249
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459023

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone (CID 104666670) is (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone is COc1cc(Cl)cc2cc(C(=O)c3cccc(Cl)c3)oc12.
What is the InChIKey of (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The InChIKey is PCANARPVDVQKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-20-14-8-12(18)6-10-7-13(21-16(10)14)15(19)9-3-2-4-11(17)5-9/h2-8H,1H3.
What are the key properties of (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone has a molecular weight of 321.16 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 104666670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).