1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol

C18H18O2 — CID 114723712

IUPAC1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-13(14-7-3-2-4-8-14)11-16(19)18-12-15-9-5-6-10-17(15)20-18/h2-10,12-13,16,19H,11H2,1H3
InChIKeyVGORFCOIQMEGLU-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.66
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol

1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol (PubChem CID 114723712) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
PubChem CID114723712
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-13(14-7-3-2-4-8-14)11-16(19)18-12-15-9-5-6-10-17(15)20-18/h2-10,12-13,16,19H,11H2,1H3
InChIKeyVGORFCOIQMEGLU-UHFFFAOYSA-N
XLogP4.66
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol 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

1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
CID 115836093
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
2-butan-2-yl-1-benzofuran
CID 12065919
2-(4-bromopentan-2-yl)-1-benzofuran
CID 114733955
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate
CID 155809297
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylheptan-1-ol
CID 155814254
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol (CID 114723712) is 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol is CC(CC(O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol?
The InChIKey is VGORFCOIQMEGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(14-7-3-2-4-8-14)11-16(19)18-12-15-9-5-6-10-17(15)20-18/h2-10,12-13,16,19H,11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol?
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol is sourced from PubChem (CID 114723712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).