(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C19H20O2 — CID 115814188

IUPAC(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)15-9-7-13(8-10-15)17(20)16-6-4-5-14-11-12-21-18(14)16/h4-10H,11-12H2,1-3H3
InChIKeyPIPFQOQLPUETDS-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.15
Rot. Bonds2

About (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 115814188) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID115814188
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)15-9-7-13(8-10-15)17(20)16-6-4-5-14-11-12-21-18(14)16/h4-10H,11-12H2,1-3H3
InChIKeyPIPFQOQLPUETDS-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-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

2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744176
(4-tert-butylphenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 91678703
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 115814188) is (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is CC(C)(C)c1ccc(C(=O)c2cccc3c2OCC3)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is PIPFQOQLPUETDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(2,3)15-9-7-13(8-10-15)17(20)16-6-4-5-14-11-12-21-18(14)16/h4-10H,11-12H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 115814188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).