1-(4-chlorophenyl)pentane-1,2-diol

C11H15ClO2 — CID 103454768

IUPAC1-(4-chlorophenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,10-11,13-14H,2-3H2,1H3
InChIKeyBBUUYBOHETWEIZ-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-chlorophenyl)pentane-1,2-diol

1-(4-chlorophenyl)pentane-1,2-diol (PubChem CID 103454768) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(4-chlorophenyl)pentane-1,2-diol
PubChem CID103454768
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(4-chlorophenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,10-11,13-14H,2-3H2,1H3
InChIKeyBBUUYBOHETWEIZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
CID 15778521
2-(4-chlorophenyl)hexan-3-ol
CID 83051446
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1-(4-chlorophenyl)butane-1-thiol
CID 57054877
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
tert-butyl 4-[(1R,2R)-1-(4-chlorophenyl)-1-hydroxypentan-2-yl]benzoate
CID 58349469
2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
CID 82312991

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pentane-1,2-diol?
The IUPAC name of 1-(4-chlorophenyl)pentane-1,2-diol (CID 103454768) is 1-(4-chlorophenyl)pentane-1,2-diol.
What is the SMILES notation for 1-(4-chlorophenyl)pentane-1,2-diol?
The canonical SMILES for 1-(4-chlorophenyl)pentane-1,2-diol is CCCC(O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)pentane-1,2-diol?
The InChIKey is BBUUYBOHETWEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,10-11,13-14H,2-3H2,1H3.
What are the key properties of 1-(4-chlorophenyl)pentane-1,2-diol?
1-(4-chlorophenyl)pentane-1,2-diol has a molecular weight of 214.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pentane-1,2-diol is sourced from PubChem (CID 103454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).