1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one

C14H19ClO3 — CID 116707900

IUPAC1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H19ClO3/c1-4-6-12(18-5-2)14(16)10-7-8-11(15)13(9-10)17-3/h7-9,12H,4-6H2,1-3H3
InChIKeyAHGYDLYOWLCCFA-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.74
Rot. Bonds7

About 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one

1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one (PubChem CID 116707900) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
PubChem CID116707900
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H19ClO3/c1-4-6-12(18-5-2)14(16)10-7-8-11(15)13(9-10)17-3/h7-9,12H,4-6H2,1-3H3
InChIKeyAHGYDLYOWLCCFA-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-one
CID 116594998
3-amino-1-(4-chloro-3-methoxyphenyl)hexan-1-one
CID 116607960
2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 116707896
1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
CID 102617817
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-(3-chloro-4-methylphenyl)-2-ethoxybutan-1-one
CID 107559945
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
CID 116707998
ethyl 2-(3,4-dimethoxybenzoyl)pentanoate
CID 83038880
1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one
CID 116707827
2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116707745

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one (CID 116707900) is 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one is CCCC(OCC)C(=O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one?
The InChIKey is AHGYDLYOWLCCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-4-6-12(18-5-2)14(16)10-7-8-11(15)13(9-10)17-3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one?
1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one has a molecular weight of 270.76 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one is sourced from PubChem (CID 116707900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).