1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

C16H16ClFO — CID 114833346

IUPAC1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccc(Cl)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFO/c1-16(19,10-12-5-7-14(17)8-6-12)11-13-3-2-4-15(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyGIUIGAUHZSZHMO-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.02
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114833346) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114833346
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccc(Cl)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFO/c1-16(19,10-12-5-7-14(17)8-6-12)11-13-3-2-4-15(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyGIUIGAUHZSZHMO-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833275
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (CID 114833346) is 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is CC(O)(Cc1ccc(Cl)cc1)Cc1cccc(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is GIUIGAUHZSZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-16(19,10-12-5-7-14(17)8-6-12)11-13-3-2-4-15(18)9-13/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 278.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).