(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone

C17H14O3 — CID 14018362

IUPAC(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccccc1C(=O)c1c(C)oc2ccccc12
InChIInChI=1S/C17H14O3/c1-11-16(12-7-3-6-10-15(12)20-11)17(18)13-8-4-5-9-14(13)19-2/h3-10H,1-2H3
InChIKeySQNLJMHCARNRBL-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.98
Rot. Bonds3

About (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone

(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone (PubChem CID 14018362) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
PubChem CID14018362
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccccc1C(=O)c1c(C)oc2ccccc12
InChIInChI=1S/C17H14O3/c1-11-16(12-7-3-6-10-15(12)20-11)17(18)13-8-4-5-9-14(13)19-2/h3-10H,1-2H3
InChIKeySQNLJMHCARNRBL-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
CID 877252
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 10164183
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 8778402

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone (CID 14018362) is (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone is COc1ccccc1C(=O)c1c(C)oc2ccccc12.
What is the InChIKey of (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The InChIKey is SQNLJMHCARNRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-16(12-7-3-6-10-15(12)20-11)17(18)13-8-4-5-9-14(13)19-2/h3-10H,1-2H3.
What are the key properties of (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 14018362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).