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

C14H19ClO2 — CID 83225276

IUPAC1-(4-chlorophenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO2/c1-3-5-13(16)14(17-10-4-2)11-6-8-12(15)9-7-11/h6-9,14H,3-5,10H2,1-2H3
InChIKeyPIDVVAVSMHSQIT-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.18
Rot. Bonds7

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

1-(4-chlorophenyl)-1-propoxypentan-2-one (PubChem CID 83225276) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-propoxypentan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-propoxypentan-2-one
PubChem CID83225276
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(4-chlorophenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO2/c1-3-5-13(16)14(17-10-4-2)11-6-8-12(15)9-7-11/h6-9,14H,3-5,10H2,1-2H3
InChIKeyPIDVVAVSMHSQIT-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-methoxypentan-2-one
CID 83225390
1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one
CID 83225657
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
1-(2,6-difluorophenyl)-1-propoxypentan-2-one
CID 83226006
1-(3-bromo-4-fluorophenyl)-1-propoxybutan-2-one
CID 83225505
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
[(1R)-1-(4-chlorophenyl)ethyl] butanoate
CID 100924469
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
2-(4-butanoylphenoxy)-2-(4-chlorophenyl)acetic acid
CID 154115811
1-(3-chloro-4-hydroxyphenyl)-1-propoxypropan-2-one
CID 83225100
1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
CID 14813833
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-propoxypentan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-1-propoxypentan-2-one (CID 83225276) is 1-(4-chlorophenyl)-1-propoxypentan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-1-propoxypentan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-1-propoxypentan-2-one is CCCOC(C(=O)CCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-propoxypentan-2-one?
The InChIKey is PIDVVAVSMHSQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-3-5-13(16)14(17-10-4-2)11-6-8-12(15)9-7-11/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-propoxypentan-2-one?
1-(4-chlorophenyl)-1-propoxypentan-2-one has a molecular weight of 254.76 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-propoxypentan-2-one is sourced from PubChem (CID 83225276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).