(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol

C10H12F2O — CID 82759417

IUPAC(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
SMILESCC[C@H](O)c1cc(C)c(F)cc1F
InChIInChI=1S/C10H12F2O/c1-3-10(13)7-4-6(2)8(11)5-9(7)12/h4-5,10,13H,3H2,1-2H3/t10-/m0/s1
InChIKeyOSCMTOFVZPZRCH-JTQLQIEISA-N
MW186.20 g/mol
LogP2.72
Rot. Bonds2

About (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol

(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol (PubChem CID 82759417) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
PubChem CID82759417
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
SMILESCC[C@H](O)c1cc(C)c(F)cc1F
InChIInChI=1S/C10H12F2O/c1-3-10(13)7-4-6(2)8(11)5-9(7)12/h4-5,10,13H,3H2,1-2H3/t10-/m0/s1
InChIKeyOSCMTOFVZPZRCH-JTQLQIEISA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
CID 115788963
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol
CID 79730496
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid
CID 79733291

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol (CID 82759417) is (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol is CC[C@H](O)c1cc(C)c(F)cc1F.
What is the InChIKey of (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
The InChIKey is OSCMTOFVZPZRCH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12F2O/c1-3-10(13)7-4-6(2)8(11)5-9(7)12/h4-5,10,13H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol has a molecular weight of 186.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 82759417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).