1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol

C16H16BrFO2 — CID 103465726

IUPAC1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C16H16BrFO2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-14(17)9-15(12)18/h2-9,19H,10-11H2,1H3
InChIKeyFOSLZWNHYGHWSY-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol

1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103465726) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103465726
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C16H16BrFO2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-14(17)9-15(12)18/h2-9,19H,10-11H2,1H3
InChIKeyFOSLZWNHYGHWSY-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465180
1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465196
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 65144721
1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
CID 62621665
2-[(4-bromo-2-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444863
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-4-bromo-2-fluorobenzene
CID 79445536
(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol
CID 67185451
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465737
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol (CID 103465726) is 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol is COCC(O)(Cc1ccc(Br)cc1F)c1ccccc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is FOSLZWNHYGHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-14(17)9-15(12)18/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 339.20 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103465726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).