2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol

C16H16BrFO — CID 114349841

IUPAC2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1CC(CO)c1cccc(Br)c1
InChIInChI=1S/C16H16BrFO/c1-11-7-16(18)6-5-12(11)8-14(10-19)13-3-2-4-15(17)9-13/h2-7,9,14,19H,8,10H2,1H3
InChIKeyNPZBREDMCFTSAI-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.22
Rot. Bonds4

About 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol

2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 114349841) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
PubChem CID114349841
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1CC(CO)c1cccc(Br)c1
InChIInChI=1S/C16H16BrFO/c1-11-7-16(18)6-5-12(11)8-14(10-19)13-3-2-4-15(17)9-13/h2-7,9,14,19H,8,10H2,1H3
InChIKeyNPZBREDMCFTSAI-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 79417400
3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
CID 105375965
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372
1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 79432007
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
CID 79443451

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol (CID 114349841) is 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol is Cc1cc(F)ccc1CC(CO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is NPZBREDMCFTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-11-7-16(18)6-5-12(11)8-14(10-19)13-3-2-4-15(17)9-13/h2-7,9,14,19H,8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol?
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 323.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 114349841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).