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

C11H15ClO2 — CID 26369

IUPAC2-(3-chlorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-5-4-6-9(12)7-8/h4-7,13-14H,1-3H3
InChIKeyOLXAYPPTCHXQRE-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.32
Rot. Bonds2

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

2-(3-chlorophenyl)-3-methylbutane-2,3-diol (PubChem CID 26369) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methylbutane-2,3-diol
PubChem CID26369
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-(3-chlorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-5-4-6-9(12)7-8/h4-7,13-14H,1-3H3
InChIKeyOLXAYPPTCHXQRE-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methylbutane-2,3-diol?
The IUPAC name of 2-(3-chlorophenyl)-3-methylbutane-2,3-diol (CID 26369) is 2-(3-chlorophenyl)-3-methylbutane-2,3-diol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methylbutane-2,3-diol?
The canonical SMILES for 2-(3-chlorophenyl)-3-methylbutane-2,3-diol is CC(C)(O)C(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-methylbutane-2,3-diol?
The InChIKey is OLXAYPPTCHXQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-5-4-6-9(12)7-8/h4-7,13-14H,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3-methylbutane-2,3-diol?
2-(3-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-(3-chlorophenyl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 26369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).