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

C12H15ClO2 — CID 83225390

IUPAC1-(4-chlorophenyl)-1-methoxypentan-2-one
SMILESCCCC(=O)C(OC)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-3-4-11(14)12(15-2)9-5-7-10(13)8-6-9/h5-8,12H,3-4H2,1-2H3
InChIKeyUNWIQBBGXSBVAW-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.40
Rot. Bonds5

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

1-(4-chlorophenyl)-1-methoxypentan-2-one (PubChem CID 83225390) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-methoxypentan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-methoxypentan-2-one
PubChem CID83225390
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(4-chlorophenyl)-1-methoxypentan-2-one
SMILESCCCC(=O)C(OC)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-3-4-11(14)12(15-2)9-5-7-10(13)8-6-9/h5-8,12H,3-4H2,1-2H3
InChIKeyUNWIQBBGXSBVAW-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-propoxypentan-2-one
CID 83225276
1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
CID 14813833
1-methoxy-1-(4-propan-2-yloxyphenyl)pentan-2-one
CID 83226792
1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one
CID 83225132
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
[(1R)-1-(4-chlorophenyl)ethyl] butanoate
CID 100924469
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
2-(4-butanoylphenoxy)-2-(4-chlorophenyl)acetic acid
CID 154115811
[1-(3-chlorophenyl)-2-oxopentyl] butanoate
CID 102378022
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
1-amino-1-(4-propan-2-ylphenyl)pentan-2-one
CID 154651058
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-methoxypentan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-1-methoxypentan-2-one (CID 83225390) is 1-(4-chlorophenyl)-1-methoxypentan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-1-methoxypentan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-1-methoxypentan-2-one is CCCC(=O)C(OC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-methoxypentan-2-one?
The InChIKey is UNWIQBBGXSBVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-4-11(14)12(15-2)9-5-7-10(13)8-6-9/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-methoxypentan-2-one?
1-(4-chlorophenyl)-1-methoxypentan-2-one has a molecular weight of 226.70 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-methoxypentan-2-one is sourced from PubChem (CID 83225390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).