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

C16H16ClFO — CID 156883833

IUPAC2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(c1cccc(Cl)c1)C(O)c1cccc(F)c1
InChIInChI=1S/C16H16ClFO/c1-16(2,12-6-4-7-13(17)10-12)15(19)11-5-3-8-14(18)9-11/h3-10,15,19H,1-2H3
InChIKeyOYGSQODKHOXTLT-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.49
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 156883833) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol
PubChem CID156883833
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(c1cccc(Cl)c1)C(O)c1cccc(F)c1
InChIInChI=1S/C16H16ClFO/c1-16(2,12-6-4-7-13(17)10-12)15(19)11-5-3-8-14(18)9-11/h3-10,15,19H,1-2H3
InChIKeyOYGSQODKHOXTLT-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
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1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
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1-(3-fluoro-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
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1-chloro-3-fluorobenzene;ethane
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2,2-dichloro-1-(3-fluorophenyl)-2-methylsulfonylethanol
CID 102550189
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
1-chloro-3-(1,1-dibromoethyl)benzene
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(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol (CID 156883833) is 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol is CC(C)(c1cccc(Cl)c1)C(O)c1cccc(F)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is OYGSQODKHOXTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-16(2,12-6-4-7-13(17)10-12)15(19)11-5-3-8-14(18)9-11/h3-10,15,19H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol?
2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 278.75 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 156883833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).