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

C17H18BrFO — CID 66059065

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H18BrFO/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-5-6-16(18)10-17(15)19/h2-7,10,14,20H,8-9,11H2,1H3
InChIKeyAOCXKVARATYPFF-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.29
Rot. Bonds5

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

2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (PubChem CID 66059065) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
PubChem CID66059065
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H18BrFO/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-5-6-16(18)10-17(15)19/h2-7,10,14,20H,8-9,11H2,1H3
InChIKeyAOCXKVARATYPFF-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)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-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66058853
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (CID 66059065) is 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CC(CO)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The InChIKey is AOCXKVARATYPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-5-6-16(18)10-17(15)19/h2-7,10,14,20H,8-9,11H2,1H3.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol has a molecular weight of 337.23 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 66059065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).