3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol

C17H17FO2 — CID 79433208

IUPAC3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol
SMILESOCC(CC1COc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H17FO2/c18-15-5-3-4-12(9-15)13(10-19)8-14-11-20-17-7-2-1-6-16(14)17/h1-7,9,13-14,19H,8,10-11H2
InChIKeyQUQWISJYQWLUCG-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.47
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol

3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 79433208) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID79433208
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol
SMILESOCC(CC1COc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H17FO2/c18-15-5-3-4-12(9-15)13(10-19)8-14-11-20-17-7-2-1-6-16(14)17/h1-7,9,13-14,19H,8,10-11H2
InChIKeyQUQWISJYQWLUCG-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-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

2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
CID 79449029
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
CID 71329862
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
CID 66360930
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 79431432
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol (CID 79433208) is 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol is OCC(CC1COc2ccccc21)c1cccc(F)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is QUQWISJYQWLUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c18-15-5-3-4-12(9-15)13(10-19)8-14-11-20-17-7-2-1-6-16(14)17/h1-7,9,13-14,19H,8,10-11H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol?
3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 272.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 79433208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).