3-(2-methylpropyl)-2-phenyl-1-benzofuran

C18H18O — CID 11572364

IUPAC3-(2-methylpropyl)-2-phenyl-1-benzofuran
SMILESCC(C)Cc1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H18O/c1-13(2)12-16-15-10-6-7-11-17(15)19-18(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyWJFYDMHLOUBLTR-UHFFFAOYSA-N
MW250.34 g/mol
LogP5.30
Rot. Bonds3

About 3-(2-methylpropyl)-2-phenyl-1-benzofuran

3-(2-methylpropyl)-2-phenyl-1-benzofuran (PubChem CID 11572364) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-phenyl-1-benzofuran
PubChem CID11572364
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-(2-methylpropyl)-2-phenyl-1-benzofuran
SMILESCC(C)Cc1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H18O/c1-13(2)12-16-15-10-6-7-11-17(15)19-18(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyWJFYDMHLOUBLTR-UHFFFAOYSA-N
XLogP5.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-3-propan-2-yl-1-benzofuran
CID 11536007
2-phenyl-3-prop-2-enyl-1-benzofuran
CID 15441762
3-(2-methylpropyl)-1-benzofuran-2-sulfonyl chloride
CID 98770576
4-methyl-3-(2-methylpropyl)chromen-2-one
CID 170712354
2-phenyl-1-benzofuran-3-amine
CID 54532541
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
CID 63488537
3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-phenyl-1-benzofuran
CID 122390967
3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran
CID 15854141
2-(2-methylpropyl)dibenzofuran
CID 59877560
3-but-3-en-2-yl-2-phenylchromen-4-one
CID 102136808
4-[3-(hydroxymethyl)-1-benzofuran-2-yl]benzaldehyde
CID 11288201
[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
CID 114375378

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-phenyl-1-benzofuran?
The IUPAC name of 3-(2-methylpropyl)-2-phenyl-1-benzofuran (CID 11572364) is 3-(2-methylpropyl)-2-phenyl-1-benzofuran.
What is the SMILES notation for 3-(2-methylpropyl)-2-phenyl-1-benzofuran?
The canonical SMILES for 3-(2-methylpropyl)-2-phenyl-1-benzofuran is CC(C)Cc1c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-(2-methylpropyl)-2-phenyl-1-benzofuran?
The InChIKey is WJFYDMHLOUBLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-13(2)12-16-15-10-6-7-11-17(15)19-18(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2-phenyl-1-benzofuran?
3-(2-methylpropyl)-2-phenyl-1-benzofuran has a molecular weight of 250.34 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-phenyl-1-benzofuran is sourced from PubChem (CID 11572364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).