(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone

C17H14O3 — CID 900013

IUPAC(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
SMILESCOc1ccc2oc(C)c(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H14O3/c1-11-16(17(18)12-6-4-3-5-7-12)14-10-13(19-2)8-9-15(14)20-11/h3-10H,1-2H3
InChIKeyIBDOOOQLYBYMIV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.98
Rot. Bonds3

About (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone

(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone (PubChem CID 900013) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
PubChem CID900013
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
SMILESCOc1ccc2oc(C)c(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H14O3/c1-11-16(17(18)12-6-4-3-5-7-12)14-10-13(19-2)8-9-15(14)20-11/h3-10H,1-2H3
InChIKeyIBDOOOQLYBYMIV-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

(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 877207
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
CID 877252
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
[2-(3-ethoxy-3-hydroxypropyl)-5-methoxy-1-benzofuran-3-yl]-phenylmethanone
CID 123964397
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone (CID 900013) is (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone is COc1ccc2oc(C)c(C(=O)c3ccccc3)c2c1.
What is the InChIKey of (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone?
The InChIKey is IBDOOOQLYBYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-16(17(18)12-6-4-3-5-7-12)14-10-13(19-2)8-9-15(14)20-11/h3-10H,1-2H3.
What are the key properties of (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone?
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone 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 (5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone is sourced from PubChem (CID 900013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).