1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol

C11H14Cl2O2 — CID 103448708

IUPAC1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O2/c1-3-11(2,15)10(14)7-5-4-6-8(12)9(7)13/h4-6,10,14-15H,3H2,1-2H3
InChIKeyBXCKLVNCCKPSQY-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol

1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol (PubChem CID 103448708) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
PubChem CID103448708
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O2/c1-3-11(2,15)10(14)7-5-4-6-8(12)9(7)13/h4-6,10,14-15H,3H2,1-2H3
InChIKeyBXCKLVNCCKPSQY-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-methylbutane-1,2-diol
CID 103448576
1-(2,3-dichlorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63411078
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
1-(2,3-dichlorophenyl)-2,2-diethoxyethanol
CID 79495182
2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol
CID 103448542
(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol (CID 103448708) is 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol?
The InChIKey is BXCKLVNCCKPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-3-11(2,15)10(14)7-5-4-6-8(12)9(7)13/h4-6,10,14-15H,3H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol?
1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol has a molecular weight of 249.14 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).