1-(3-chlorophenyl)pentane-2,3-diol

C11H15ClO2 — CID 103454691

IUPAC1-(3-chlorophenyl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-2-10(13)11(14)7-8-4-3-5-9(12)6-8/h3-6,10-11,13-14H,2,7H2,1H3
InChIKeyPCSCYJDVKGYKLD-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.01
Rot. Bonds4

About 1-(3-chlorophenyl)pentane-2,3-diol

1-(3-chlorophenyl)pentane-2,3-diol (PubChem CID 103454691) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pentane-2,3-diol.

Molecular Properties

Compound Name1-(3-chlorophenyl)pentane-2,3-diol
PubChem CID103454691
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(3-chlorophenyl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-2-10(13)11(14)7-8-4-3-5-9(12)6-8/h3-6,10-11,13-14H,2,7H2,1H3
InChIKeyPCSCYJDVKGYKLD-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
1-(3-chlorophenyl)-3-methylhexan-2-ol
CID 63017925
1-(3-chlorophenyl)-3-ethylheptan-2-ol
CID 63517929
3-[(3-chlorophenyl)methyl]-4-methylpentan-2-ol
CID 62914608
1-chloro-3-(3-chloro-2-ethylbutyl)benzene
CID 63460008
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905409
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
1-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 63016982
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-(3-chlorophenyl)-4-methylpent-4-en-2-ol
CID 79178681
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pentane-2,3-diol?
The IUPAC name of 1-(3-chlorophenyl)pentane-2,3-diol (CID 103454691) is 1-(3-chlorophenyl)pentane-2,3-diol.
What is the SMILES notation for 1-(3-chlorophenyl)pentane-2,3-diol?
The canonical SMILES for 1-(3-chlorophenyl)pentane-2,3-diol is CCC(O)C(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)pentane-2,3-diol?
The InChIKey is PCSCYJDVKGYKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-10(13)11(14)7-8-4-3-5-9(12)6-8/h3-6,10-11,13-14H,2,7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)pentane-2,3-diol?
1-(3-chlorophenyl)pentane-2,3-diol has a molecular weight of 214.69 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)pentane-2,3-diol is sourced from PubChem (CID 103454691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).