(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone

C16H11ClO3 — CID 2797594

IUPAC(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H11ClO3/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9H,1H3
InChIKeySVQLTYVFAXKBMP-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.33
Rot. Bonds3

About (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone

(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 2797594) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
PubChem CID2797594
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H11ClO3/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9H,1H3
InChIKeySVQLTYVFAXKBMP-UHFFFAOYSA-N
XLogP4.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194096
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(E)-3-[2-(4-chlorobenzoyl)-1-benzofuran-5-yl]-2-methylprop-2-enoic acid
CID 170873364
(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 62915012
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone (CID 2797594) is (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone is COc1ccc2oc(C(=O)c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is SVQLTYVFAXKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9H,1H3.
What are the key properties of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 286.71 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2797594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).