2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran

C19H20O — CID 134949472

IUPAC2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
SMILESCC(C)C[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20O/c1-14(2)12-17(15-8-4-3-5-9-15)19-13-16-10-6-7-11-18(16)20-19/h3-11,13-14,17H,12H2,1-2H3/t17-/m1/s1
InChIKeyWOKXUISWAAMFQP-QGZVFWFLSA-N
MW264.37 g/mol
LogP5.61
Rot. Bonds4

About 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran

2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran (PubChem CID 134949472) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran.

Molecular Properties

Compound Name2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
PubChem CID134949472
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
SMILESCC(C)C[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20O/c1-14(2)12-17(15-8-4-3-5-9-15)19-13-16-10-6-7-11-18(16)20-19/h3-11,13-14,17H,12H2,1-2H3/t17-/m1/s1
InChIKeyWOKXUISWAAMFQP-QGZVFWFLSA-N
XLogP5.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
2-butan-2-yl-1-benzofuran
CID 12065919
(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylheptan-1-ol
CID 155814254
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
2-(4-bromopentan-2-yl)-1-benzofuran
CID 114733955
2-[(1R,2R)-2,3,3-trimethyl-1-phenylbutyl]-1-benzofuran
CID 101400046
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
tert-butyl 2-[1-(1-benzofuran-2-yl)-3-methylbutyl]pyrrole-1-carboxylate
CID 71740402
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran?
The IUPAC name of 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran (CID 134949472) is 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran.
What is the SMILES notation for 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran?
The canonical SMILES for 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran is CC(C)C[C@H](c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran?
The InChIKey is WOKXUISWAAMFQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20O/c1-14(2)12-17(15-8-4-3-5-9-15)19-13-16-10-6-7-11-18(16)20-19/h3-11,13-14,17H,12H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran?
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran has a molecular weight of 264.37 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran is sourced from PubChem (CID 134949472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).