(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone

C18H16O3 — CID 28880617

IUPAC(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C18H16O3/c1-3-20-14-10-8-13(9-11-14)17(19)18-12(2)15-6-4-5-7-16(15)21-18/h4-11H,3H2,1-2H3
InChIKeyKAUKFNIHBAZDLZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.37
Rot. Bonds4

About (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone

(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 28880617) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID28880617
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C18H16O3/c1-3-20-14-10-8-13(9-11-14)17(19)18-12(2)15-6-4-5-7-16(15)21-18/h4-11H,3H2,1-2H3
InChIKeyKAUKFNIHBAZDLZ-UHFFFAOYSA-N
XLogP4.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one
CID 19245179
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 16550716
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2207639
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone (CID 28880617) is (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone is CCOc1ccc(C(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is KAUKFNIHBAZDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-3-20-14-10-8-13(9-11-14)17(19)18-12(2)15-6-4-5-7-16(15)21-18/h4-11H,3H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone?
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 280.32 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 28880617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).