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

C16H16F2O — CID 79417400

IUPAC3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2O/c1-11-3-2-4-12(7-11)14(10-19)8-13-5-6-15(17)9-16(13)18/h2-7,9,14,19H,8,10H2,1H3
InChIKeyKFRSAIXPUFHCBD-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.59
Rot. Bonds4

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

3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 79417400) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID79417400
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2O/c1-11-3-2-4-12(7-11)14(10-19)8-13-5-6-15(17)9-16(13)18/h2-7,9,14,19H,8,10H2,1H3
InChIKeyKFRSAIXPUFHCBD-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
CID 105375965
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 114349841
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 103041993
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol (CID 79417400) is 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CO)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is KFRSAIXPUFHCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11-3-2-4-12(7-11)14(10-19)8-13-5-6-15(17)9-16(13)18/h2-7,9,14,19H,8,10H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol?
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 262.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 79417400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).