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

C16H16ClFO2 — CID 103465196

IUPAC1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClFO2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-15(18)14(17)9-12/h2-9,19H,10-11H2,1H3
InChIKeyMTMLHZMYHQHGJJ-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.56
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103465196) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103465196
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClFO2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-15(18)14(17)9-12/h2-9,19H,10-11H2,1H3
InChIKeyMTMLHZMYHQHGJJ-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.56
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-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465726
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
4-chloro-1-(3-fluoro-4-methoxyphenyl)-2-phenylbutan-2-ol
CID 116696364
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine
CID 103039293
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol (CID 103465196) is 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol is COCC(O)(Cc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is MTMLHZMYHQHGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-15(18)14(17)9-12/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 294.75 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).