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

C17H14O3 — CID 28880611

IUPAC(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccccc1C(=O)c1oc2ccccc2c1C
InChIInChI=1S/C17H14O3/c1-11-12-7-3-6-10-15(12)20-17(11)16(18)13-8-4-5-9-14(13)19-2/h3-10H,1-2H3
InChIKeyXGCRNHQPDKWTKH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.98
Rot. Bonds3

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

(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 28880611) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID28880611
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccccc1C(=O)c1oc2ccccc2c1C
InChIInChI=1S/C17H14O3/c1-11-12-7-3-6-10-15(12)20-17(11)16(18)13-8-4-5-9-14(13)19-2/h3-10H,1-2H3
InChIKeyXGCRNHQPDKWTKH-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)-(2-methyl-1-benzofuran-3-yl)methanone
CID 14018362
(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 8778402
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464723
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2464234
(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
CID 63942621
(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 28880620
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone (CID 28880611) is (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone is COc1ccccc1C(=O)c1oc2ccccc2c1C.
What is the InChIKey of (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is XGCRNHQPDKWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-12-7-3-6-10-15(12)20-17(11)16(18)13-8-4-5-9-14(13)19-2/h3-10H,1-2H3.
What are the key properties of (2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-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)-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 28880611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).