1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol

C11H14ClFO2 — CID 103449198

IUPAC1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFO2/c1-11(2,15)10(14)6-7-5-8(13)3-4-9(7)12/h3-5,10,14-15H,6H2,1-2H3
InChIKeyVGCTYYHYJDGMIN-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol

1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol (PubChem CID 103449198) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
PubChem CID103449198
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFO2/c1-11(2,15)10(14)6-7-5-8(13)3-4-9(7)12/h3-5,10,14-15H,6H2,1-2H3
InChIKeyVGCTYYHYJDGMIN-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-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

1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
CID 102609429
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
CID 102623078
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol (CID 103449198) is 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol is CC(C)(O)C(O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol?
The InChIKey is VGCTYYHYJDGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-11(2,15)10(14)6-7-5-8(13)3-4-9(7)12/h3-5,10,14-15H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol?
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol has a molecular weight of 232.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 103449198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).