(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone

C19H18O2 — CID 28880618

IUPAC(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
SMILESCc1c(C(=O)c2ccc(C(C)C)cc2)oc2ccccc12
InChIInChI=1S/C19H18O2/c1-12(2)14-8-10-15(11-9-14)18(20)19-13(3)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3
InChIKeyHNEJFUVZSIPUPI-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.10
Rot. Bonds3

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

(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 28880618) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID28880618
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
SMILESCc1c(C(=O)c2ccc(C(C)C)cc2)oc2ccccc12
InChIInChI=1S/C19H18O2/c1-12(2)14-8-10-15(11-9-14)18(20)19-13(3)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3
InChIKeyHNEJFUVZSIPUPI-UHFFFAOYSA-N
XLogP5.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)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

(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417462
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239266
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone (CID 28880618) is (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone is Cc1c(C(=O)c2ccc(C(C)C)cc2)oc2ccccc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is HNEJFUVZSIPUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-12(2)14-8-10-15(11-9-14)18(20)19-13(3)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone?
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 28880618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).