1-(4-chlorophenyl)-5-methoxypentan-2-one

C12H15ClO2 — CID 62621697

IUPAC1-(4-chlorophenyl)-5-methoxypentan-2-one
SMILESCOCCCC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-15-8-2-3-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyYQPSFEBSGAMZGT-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-chlorophenyl)-5-methoxypentan-2-one

1-(4-chlorophenyl)-5-methoxypentan-2-one (PubChem CID 62621697) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methoxypentan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methoxypentan-2-one
PubChem CID62621697
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(4-chlorophenyl)-5-methoxypentan-2-one
SMILESCOCCCC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-15-8-2-3-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyYQPSFEBSGAMZGT-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-ethoxypentan-2-one
CID 105078038
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-one
CID 107883978
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
1-(4-chlorophenyl)-8-hydroxyoctan-2-one
CID 57297680
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1-(2-chloro-6-fluorophenyl)-5-methoxypentan-2-one
CID 63023516
1-(4-tert-butylphenyl)-4-methoxybutan-2-one
CID 62619886
1-(4-chlorophenyl)butan-2-one
CID 39237509
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methoxypentan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-methoxypentan-2-one (CID 62621697) is 1-(4-chlorophenyl)-5-methoxypentan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methoxypentan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-methoxypentan-2-one is COCCCC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methoxypentan-2-one?
The InChIKey is YQPSFEBSGAMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-15-8-2-3-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methoxypentan-2-one?
1-(4-chlorophenyl)-5-methoxypentan-2-one has a molecular weight of 226.70 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methoxypentan-2-one is sourced from PubChem (CID 62621697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).