2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol

C17H18BrFO — CID 66060375

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H18BrFO/c1-12-4-2-3-5-14(12)8-13(11-20)9-15-10-16(19)6-7-17(15)18/h2-7,10,13,20H,8-9,11H2,1H3
InChIKeyYPIXQQOUXJDNBV-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.29
Rot. Bonds5

About 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol

2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 66060375) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
PubChem CID66060375
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H18BrFO/c1-12-4-2-3-5-14(12)8-13(11-20)9-15-10-16(19)6-7-17(15)18/h2-7,10,13,20H,8-9,11H2,1H3
InChIKeyYPIXQQOUXJDNBV-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

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793090
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059093
2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 66058898
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol (CID 66060375) is 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CC(CO)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is YPIXQQOUXJDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-12-4-2-3-5-14(12)8-13(11-20)9-15-10-16(19)6-7-17(15)18/h2-7,10,13,20H,8-9,11H2,1H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-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-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 66060375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).