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

C13H17ClO2 — CID 105078038

IUPAC1-(4-chlorophenyl)-5-ethoxypentan-2-one
SMILESCCOCCCC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO2/c1-2-16-9-3-4-13(15)10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyUIJOWRIHKXXWPE-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.27
Rot. Bonds7

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

1-(4-chlorophenyl)-5-ethoxypentan-2-one (PubChem CID 105078038) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-ethoxypentan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-ethoxypentan-2-one
PubChem CID105078038
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(4-chlorophenyl)-5-ethoxypentan-2-one
SMILESCCOCCCC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO2/c1-2-16-9-3-4-13(15)10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyUIJOWRIHKXXWPE-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.27
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-methoxypentan-2-one
CID 62621697
1-(3,4-difluorophenyl)-5-ethoxypentan-2-one
CID 105124613
1-(4-chlorophenyl)butan-2-one
CID 39237509
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
ethyl 4-[(4-chlorophenyl)methoxy]butanoate
CID 71343720
5-ethoxy-1-(3-methoxyphenyl)pentan-2-one
CID 105088612
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1-(4-chlorophenyl)-4-(diethylamino)butan-2-one
CID 79077394
1-(4-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565670
1-(4-chlorophenyl)-4-(2,2-difluoroethoxy)butan-2-one
CID 103147131

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-ethoxypentan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-ethoxypentan-2-one (CID 105078038) is 1-(4-chlorophenyl)-5-ethoxypentan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-ethoxypentan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-ethoxypentan-2-one is CCOCCCC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-ethoxypentan-2-one?
The InChIKey is UIJOWRIHKXXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-2-16-9-3-4-13(15)10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-ethoxypentan-2-one?
1-(4-chlorophenyl)-5-ethoxypentan-2-one has a molecular weight of 240.73 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-ethoxypentan-2-one is sourced from PubChem (CID 105078038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).