1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol

C16H16ClFO — CID 106867250

IUPAC1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H16ClFO/c1-11-2-5-13(16(17)8-11)10-15(19)9-12-3-6-14(18)7-4-12/h2-8,15,19H,9-10H2,1H3
InChIKeyZHPDYWIPHBKVBQ-UHFFFAOYSA-N
MW278.75 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol

1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol (PubChem CID 106867250) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
PubChem CID106867250
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H16ClFO/c1-11-2-5-13(16(17)8-11)10-15(19)9-12-3-6-14(18)7-4-12/h2-8,15,19H,9-10H2,1H3
InChIKeyZHPDYWIPHBKVBQ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 106862630
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol (CID 106867250) is 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol?
The InChIKey is ZHPDYWIPHBKVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11-2-5-13(16(17)8-11)10-15(19)9-12-3-6-14(18)7-4-12/h2-8,15,19H,9-10H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol?
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol has a molecular weight of 278.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 106867250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).