1-(4-chlorophenyl)-2-hydroxypentan-1-one

C11H13ClO2 — CID 103453897

IUPAC1-(4-chlorophenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,10,13H,2-3H2,1H3
InChIKeyROUFDEOTWNPNCZ-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-chlorophenyl)-2-hydroxypentan-1-one

1-(4-chlorophenyl)-2-hydroxypentan-1-one (PubChem CID 103453897) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-hydroxypentan-1-one
PubChem CID103453897
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(4-chlorophenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,10,13H,2-3H2,1H3
InChIKeyROUFDEOTWNPNCZ-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

1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
2-(4-chlorobenzoyl)hexanoic acid
CID 67831538
1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one
CID 103284424
1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one
CID 103454073
2-amino-1-(4-chlorophenyl)butan-1-one
CID 2831614
(2S)-2-amino-1-(4-chlorophenyl)butan-1-one
CID 779152
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
[(2R)-1-(4-chlorophenyl)-1-oxobutan-2-yl]azanium
CID 7393173
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
2-butan-2-ylsulfanyl-1-(4-chlorophenyl)propan-1-one
CID 43412517
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
2-amino-1-(4-chlorophenyl)-4-methylsulfonylbutan-1-one
CID 116551933

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-hydroxypentan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-hydroxypentan-1-one (CID 103453897) is 1-(4-chlorophenyl)-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-hydroxypentan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-hydroxypentan-1-one is CCCC(O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-hydroxypentan-1-one?
The InChIKey is ROUFDEOTWNPNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,10,13H,2-3H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-hydroxypentan-1-one?
1-(4-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-(4-chlorophenyl)-2-hydroxypentan-1-one is sourced from PubChem (CID 103453897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).