1-(2-chlorophenyl)-2-methylbutane-1,2-diol

C11H15ClO2 — CID 103448576

IUPAC1-(2-chlorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-3-11(2,14)10(13)8-6-4-5-7-9(8)12/h4-7,10,13-14H,3H2,1-2H3
InChIKeyORGWICXVYSTQJP-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-chlorophenyl)-2-methylbutane-1,2-diol

1-(2-chlorophenyl)-2-methylbutane-1,2-diol (PubChem CID 103448576) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methylbutane-1,2-diol
PubChem CID103448576
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(2-chlorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-3-11(2,14)10(13)8-6-4-5-7-9(8)12/h4-7,10,13-14H,3H2,1-2H3
InChIKeyORGWICXVYSTQJP-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
CID 103448708
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752655
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
2,2-dibromo-1-(2-chlorophenyl)-2-fluoroethanol
CID 165441420
2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol
CID 103448542
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
2-(2-chlorophenyl)pentan-3-ol
CID 79298704

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(2-chlorophenyl)-2-methylbutane-1,2-diol (CID 103448576) is 1-(2-chlorophenyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(2-chlorophenyl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-methylbutane-1,2-diol?
The InChIKey is ORGWICXVYSTQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-11(2,14)10(13)8-6-4-5-7-9(8)12/h4-7,10,13-14H,3H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-methylbutane-1,2-diol?
1-(2-chlorophenyl)-2-methylbutane-1,2-diol has a molecular weight of 214.69 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).