2-(4-chlorophenyl)-3-methylbutane-2,3-diol

C11H15ClO2 — CID 6617

IUPAC2-(4-chlorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-4-6-9(12)7-5-8/h4-7,13-14H,1-3H3
InChIKeyHTYIXCKSEQQCJO-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.32
Rot. Bonds2

About 2-(4-chlorophenyl)-3-methylbutane-2,3-diol

2-(4-chlorophenyl)-3-methylbutane-2,3-diol (PubChem CID 6617) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methylbutane-2,3-diol
PubChem CID6617
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-(4-chlorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-4-6-9(12)7-5-8/h4-7,13-14H,1-3H3
InChIKeyHTYIXCKSEQQCJO-UHFFFAOYSA-N
XLogP2.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dicofol
CID 8268
1,1-Bis(4-chlorophenyl)ethanol
CID 6624
Tris(4-chlorophenyl)methanol
CID 76379
Fenpentadiol
CID 85896
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
Proclonol
CID 26450
4-Chloro-alpha,alpha-dicyclopropylbenzenemethanol
CID 44096
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
2-(3-Chlorophenyl)-3-methyl-2,3-butanediol
CID 26369
Etoxinol
CID 22342

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methylbutane-2,3-diol?
The IUPAC name of 2-(4-chlorophenyl)-3-methylbutane-2,3-diol (CID 6617) is 2-(4-chlorophenyl)-3-methylbutane-2,3-diol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methylbutane-2,3-diol?
The canonical SMILES for 2-(4-chlorophenyl)-3-methylbutane-2,3-diol is CC(C)(O)C(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methylbutane-2,3-diol?
The InChIKey is HTYIXCKSEQQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-4-6-9(12)7-5-8/h4-7,13-14H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-methylbutane-2,3-diol?
2-(4-chlorophenyl)-3-methylbutane-2,3-diol has a molecular weight of 214.69 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 6617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).