(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol

C10H13FO — CID 79002158

IUPAC(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(F)cc1C
InChIInChI=1S/C10H13FO/c1-3-10(12)9-5-4-8(11)6-7(9)2/h4-6,10,12H,3H2,1-2H3/t10-/m0/s1
InChIKeyAAHRKIBPKVSATG-JTQLQIEISA-N
MW168.21 g/mol
LogP2.58
Rot. Bonds2

About (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol

(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 79002158) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
PubChem CID79002158
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(F)cc1C
InChIInChI=1S/C10H13FO/c1-3-10(12)9-5-4-8(11)6-7(9)2/h4-6,10,12H,3H2,1-2H3/t10-/m0/s1
InChIKeyAAHRKIBPKVSATG-JTQLQIEISA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(4-fluoro-2-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

bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]butanoic acid
CID 62398019
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol (CID 79002158) is (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol is CC[C@H](O)c1ccc(F)cc1C.
What is the InChIKey of (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is AAHRKIBPKVSATG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13FO/c1-3-10(12)9-5-4-8(11)6-7(9)2/h4-6,10,12H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 168.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 79002158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).