1-(3-fluoro-5-methylphenyl)pentane-1,2-diol

C12H17FO2 — CID 103454916

IUPAC1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H17FO2/c1-3-4-11(14)12(15)9-5-8(2)6-10(13)7-9/h5-7,11-12,14-15H,3-4H2,1-2H3
InChIKeyRMOLIICXMXBJDT-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.33
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol

1-(3-fluoro-5-methylphenyl)pentane-1,2-diol (PubChem CID 103454916) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
PubChem CID103454916
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H17FO2/c1-3-4-11(14)12(15)9-5-8(2)6-10(13)7-9/h5-7,11-12,14-15H,3-4H2,1-2H3
InChIKeyRMOLIICXMXBJDT-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol 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

2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 79704820
1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
4-bromo-1-(3,5-dimethylphenyl)butane-1,2-diol
CID 171891556
4-chloro-1-(3,5-difluorophenyl)butane-1,2-diol
CID 171893381
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
ethyl 2-[(3,5-difluorophenyl)-hydroxymethyl]pentanoate
CID 106532010
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
1-(3,5-difluorophenyl)propane-1,2,3-triol
CID 170817451
1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692
ethyl 4-(3,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896963
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol (CID 103454916) is 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol is CCCC(O)C(O)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol?
The InChIKey is RMOLIICXMXBJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-3-4-11(14)12(15)9-5-8(2)6-10(13)7-9/h5-7,11-12,14-15H,3-4H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol?
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol has a molecular weight of 212.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)pentane-1,2-diol is sourced from PubChem (CID 103454916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).