1-[(4-chlorophenyl)methoxy]pentan-2-one

C12H15ClO2 — CID 65126623

IUPAC1-[(4-chlorophenyl)methoxy]pentan-2-one
SMILESCCCC(=O)COCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-3-12(14)9-15-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyVDBOOFZUKDUEOQ-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.23
Rot. Bonds6

About 1-[(4-chlorophenyl)methoxy]pentan-2-one

1-[(4-chlorophenyl)methoxy]pentan-2-one (PubChem CID 65126623) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]pentan-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]pentan-2-one
PubChem CID65126623
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-[(4-chlorophenyl)methoxy]pentan-2-one
SMILESCCCC(=O)COCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-3-12(14)9-15-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyVDBOOFZUKDUEOQ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-[(4-chlorophenyl)methoxy]propan-2-one
CID 170561692
1-[(4-fluorophenyl)methoxy]hexan-2-one
CID 145231574
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
1-(1,3-benzodioxol-5-ylmethoxy)pentan-2-one
CID 62043610
1-[(4-chlorophenyl)methylsulfanyl]pentan-2-one
CID 114790785
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
4-methylidene-1-phenylmethoxyheptan-2-one
CID 163622001
ethyl 4-[(4-chlorophenyl)methoxy]butanoate
CID 71343720
6-[(4-chlorophenyl)methoxy]hexan-2-one
CID 65126289
methyl 3-[(4-chlorophenyl)methoxy]-2,2-dimethylpropanoate
CID 79622106
1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126287
1-[4-[(4-chlorophenoxy)methyl]phenoxy]-3-[2-[3-[4-[(4-chlorophenoxy)methyl]phenoxy]-2-oxopropoxy]ethoxy]propan-2-one
CID 57071405

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]pentan-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]pentan-2-one (CID 65126623) is 1-[(4-chlorophenyl)methoxy]pentan-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]pentan-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]pentan-2-one is CCCC(=O)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]pentan-2-one?
The InChIKey is VDBOOFZUKDUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-2-3-12(14)9-15-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]pentan-2-one?
1-[(4-chlorophenyl)methoxy]pentan-2-one has a molecular weight of 226.70 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]pentan-2-one is sourced from PubChem (CID 65126623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).