(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C19H20O2 — CID 43160544

IUPAC(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)16-7-4-13(5-8-16)18(20)15-6-9-17-14(12-15)10-11-21-17/h4-9,12H,10-11H2,1-3H3
InChIKeyUYPWQZLVXXYSAP-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.15
Rot. Bonds2

About (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43160544) 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-5-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43160544
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)16-7-4-13(5-8-16)18(20)15-6-9-17-14(12-15)10-11-21-17/h4-9,12H,10-11H2,1-3H3
InChIKeyUYPWQZLVXXYSAP-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-5-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-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
CID 62199751
1,3-benzodioxol-5-yl-(4-tert-butylphenyl)methanone
CID 43337774
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43160544) is (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is CC(C)(C)c1ccc(C(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is UYPWQZLVXXYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(2,3)16-7-4-13(5-8-16)18(20)15-6-9-17-14(12-15)10-11-21-17/h4-9,12H,10-11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-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-5-yl)methanone is sourced from PubChem (CID 43160544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).