1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol

C16H16F2O — CID 105402436

IUPAC1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O/c1-11-3-5-13(6-4-11)16(2,19)10-12-7-14(17)9-15(18)8-12/h3-9,19H,10H2,1-2H3
InChIKeyLQXZGOHFJROOCC-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.72
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol

1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol (PubChem CID 105402436) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
PubChem CID105402436
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O/c1-11-3-5-13(6-4-11)16(2,19)10-12-7-14(17)9-15(18)8-12/h3-9,19H,10H2,1-2H3
InChIKeyLQXZGOHFJROOCC-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 105411070
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
1-(3,5-difluorophenyl)-2-(2-methylphenyl)propan-2-ol
CID 105402437
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 105402442
3-[1-(3,5-difluorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 105402704
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(3-fluoro-5-methylphenyl)-1-(4-methylphenyl)ethanol
CID 79691276
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
CID 105402450
2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol (CID 105402436) is 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol is Cc1ccc(C(C)(O)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol?
The InChIKey is LQXZGOHFJROOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11-3-5-13(6-4-11)16(2,19)10-12-7-14(17)9-15(18)8-12/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol?
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 105402436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).