1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol

C11H15FO3 — CID 171871828

IUPAC1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
SMILESCc1ccc(F)cc1C(O)C(O)CCO
InChIInChI=1S/C11H15FO3/c1-7-2-3-8(12)6-9(7)11(15)10(14)4-5-13/h2-3,6,10-11,13-15H,4-5H2,1H3
InChIKeyFBOVPDGDCTXMOL-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.91
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol

1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol (PubChem CID 171871828) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
PubChem CID171871828
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
SMILESCc1ccc(F)cc1C(O)C(O)CCO
InChIInChI=1S/C11H15FO3/c1-7-2-3-8(12)6-9(7)11(15)10(14)4-5-13/h2-3,6,10-11,13-15H,4-5H2,1H3
InChIKeyFBOVPDGDCTXMOL-UHFFFAOYSA-N
XLogP0.91
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol 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

1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
1-(2-ethoxy-5-fluorophenyl)butane-1,2,4-triol
CID 171872620
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
CID 171873399
ethyl 4-(5-fluoro-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171896910
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
1-(5-fluoro-2-methylphenyl)-2-methoxypentan-1-ol
CID 116711696
3-(5-fluoro-2-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171869759
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol (CID 171871828) is 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol is Cc1ccc(F)cc1C(O)C(O)CCO.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol?
The InChIKey is FBOVPDGDCTXMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-7-2-3-8(12)6-9(7)11(15)10(14)4-5-13/h2-3,6,10-11,13-15H,4-5H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol?
1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol has a molecular weight of 214.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol is sourced from PubChem (CID 171871828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).