1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol

C15H14BrFO2 — CID 83234065

IUPAC1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol
SMILESCC(O)(COc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrFO2/c1-15(18,11-5-3-2-4-6-11)10-19-12-7-8-14(17)13(16)9-12/h2-9,18H,10H2,1H3
InChIKeyZXPFQLGHOGZKQN-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol

1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol (PubChem CID 83234065) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol
PubChem CID83234065
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol
SMILESCC(O)(COc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrFO2/c1-15(18,11-5-3-2-4-6-11)10-19-12-7-8-14(17)13(16)9-12/h2-9,18H,10H2,1H3
InChIKeyZXPFQLGHOGZKQN-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
1-[4-(methylamino)phenoxy]-2-phenylpropan-2-ol
CID 62373858
1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol
CID 62374358
3-(3-bromo-4-fluorophenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 83233942
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78930168
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
CID 129250594
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol (CID 83234065) is 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol is CC(O)(COc1ccc(F)c(Br)c1)c1ccccc1.
What is the InChIKey of 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol?
The InChIKey is ZXPFQLGHOGZKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-15(18,11-5-3-2-4-6-11)10-19-12-7-8-14(17)13(16)9-12/h2-9,18H,10H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol?
1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol has a molecular weight of 325.18 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol is sourced from PubChem (CID 83234065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).