2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol

C17H18F2O — CID 114349827

IUPAC2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
SMILESCc1cc(F)ccc1CC(CO)Cc1cccc(F)c1
InChIInChI=1S/C17H18F2O/c1-12-7-17(19)6-5-15(12)9-14(11-20)8-13-3-2-4-16(18)10-13/h2-7,10,14,20H,8-9,11H2,1H3
InChIKeyOHZCVWRBMIMGOX-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.67
Rot. Bonds5

About 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol

2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol (PubChem CID 114349827) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
PubChem CID114349827
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
SMILESCc1cc(F)ccc1CC(CO)Cc1cccc(F)c1
InChIInChI=1S/C17H18F2O/c1-12-7-17(19)6-5-15(12)9-14(11-20)8-13-3-2-4-16(18)10-13/h2-7,10,14,20H,8-9,11H2,1H3
InChIKeyOHZCVWRBMIMGOX-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-fluoro-2-methylphenyl)methyl]-3-(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-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol
CID 114349814
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
2-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376010
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66059277
2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66059493
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
CID 66058724
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol (CID 114349827) is 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol is Cc1cc(F)ccc1CC(CO)Cc1cccc(F)c1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol?
The InChIKey is OHZCVWRBMIMGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-12-7-17(19)6-5-15(12)9-14(11-20)8-13-3-2-4-16(18)10-13/h2-7,10,14,20H,8-9,11H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol?
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol has a molecular weight of 276.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 114349827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).