1-(3-chlorophenyl)-2-hydroxypentan-1-one

C11H13ClO2 — CID 67470935

IUPAC1-(3-chlorophenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-2-4-10(13)11(14)8-5-3-6-9(12)7-8/h3,5-7,10,13H,2,4H2,1H3
InChIKeyZTPCNXMLYGZQKE-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.68
Rot. Bonds4

About 1-(3-chlorophenyl)-2-hydroxypentan-1-one

1-(3-chlorophenyl)-2-hydroxypentan-1-one (PubChem CID 67470935) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-hydroxypentan-1-one
PubChem CID67470935
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(3-chlorophenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-2-4-10(13)11(14)8-5-3-6-9(12)7-8/h3,5-7,10,13H,2,4H2,1H3
InChIKeyZTPCNXMLYGZQKE-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
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1-(3-chlorophenyl)-2-pentylsulfanylpropan-1-one
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2-hydroxy-1-(3-methylphenyl)nonan-1-one
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1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
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decyl 3-(3-chlorophenyl)-2-methyl-3-oxopropanoate
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-hydroxypentan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-hydroxypentan-1-one (CID 67470935) is 1-(3-chlorophenyl)-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-hydroxypentan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-hydroxypentan-1-one is CCCC(O)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-hydroxypentan-1-one?
The InChIKey is ZTPCNXMLYGZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-4-10(13)11(14)8-5-3-6-9(12)7-8/h3,5-7,10,13H,2,4H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-hydroxypentan-1-one?
1-(3-chlorophenyl)-2-hydroxypentan-1-one has a molecular weight of 212.68 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-hydroxypentan-1-one is sourced from PubChem (CID 67470935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).