2-phenyl-3-propan-2-yl-1-benzofuran

C17H16O — CID 11536007

IUPAC2-phenyl-3-propan-2-yl-1-benzofuran
SMILESCC(C)c1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H16O/c1-12(2)16-14-10-6-7-11-15(14)18-17(16)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyBKVKAEHJECVJHZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP5.22
Rot. Bonds2

About 2-phenyl-3-propan-2-yl-1-benzofuran

2-phenyl-3-propan-2-yl-1-benzofuran (PubChem CID 11536007) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name2-phenyl-3-propan-2-yl-1-benzofuran
PubChem CID11536007
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-phenyl-3-propan-2-yl-1-benzofuran
SMILESCC(C)c1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H16O/c1-12(2)16-14-10-6-7-11-15(14)18-17(16)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyBKVKAEHJECVJHZ-UHFFFAOYSA-N
XLogP5.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.31
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran
CID 11565470
3-(2-methylpropyl)-2-phenyl-1-benzofuran
CID 11572364
3-but-3-en-2-yl-2-phenylchromen-4-one
CID 102136808
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
CID 122542428
2-phenyl-1-benzofuran-3-amine
CID 54532541
2-methylsulfanyl-3-propan-2-yl-1-benzofuran
CID 143138070
3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
CID 11077963
3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
CID 175426400
3-(1-phenylethyl)-2-[[3-(1-phenylethyl)-1-benzofuran-2-yl]disulfanyl]-1-benzofuran
CID 10029222
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
CID 139162743
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propan-2-yl-1-benzofuran?
The IUPAC name of 2-phenyl-3-propan-2-yl-1-benzofuran (CID 11536007) is 2-phenyl-3-propan-2-yl-1-benzofuran.
What is the SMILES notation for 2-phenyl-3-propan-2-yl-1-benzofuran?
The canonical SMILES for 2-phenyl-3-propan-2-yl-1-benzofuran is CC(C)c1c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-phenyl-3-propan-2-yl-1-benzofuran?
The InChIKey is BKVKAEHJECVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12(2)16-14-10-6-7-11-15(14)18-17(16)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of 2-phenyl-3-propan-2-yl-1-benzofuran?
2-phenyl-3-propan-2-yl-1-benzofuran has a molecular weight of 236.31 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-yl-1-benzofuran is sourced from PubChem (CID 11536007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).