1-benzofuran-3-yl-(4-methoxyphenyl)methanone

C16H12O3 — CID 21487962

IUPAC1-benzofuran-3-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccccc23)cc1
InChIInChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16(17)14-10-19-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyAQDRSCNQICSNAG-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.67
Rot. Bonds3

About 1-benzofuran-3-yl-(4-methoxyphenyl)methanone

1-benzofuran-3-yl-(4-methoxyphenyl)methanone (PubChem CID 21487962) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-(4-methoxyphenyl)methanone
PubChem CID21487962
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name1-benzofuran-3-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccccc23)cc1
InChIInChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16(17)14-10-19-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyAQDRSCNQICSNAG-UHFFFAOYSA-N
XLogP3.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-6-methoxychromen-4-one
CID 747889
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone
CID 3140654
3-(4-tert-butylbenzoyl)chromen-4-one
CID 775972
(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 66804747
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid
CID 13091184
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1-benzofuran-3-yl-(4-methoxyphenyl)methanone (CID 21487962) is 1-benzofuran-3-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1-benzofuran-3-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2coc3ccccc23)cc1.
What is the InChIKey of 1-benzofuran-3-yl-(4-methoxyphenyl)methanone?
The InChIKey is AQDRSCNQICSNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16(17)14-10-19-15-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of 1-benzofuran-3-yl-(4-methoxyphenyl)methanone?
1-benzofuran-3-yl-(4-methoxyphenyl)methanone has a molecular weight of 252.27 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 21487962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).