2-(2-chlorophenoxy)pentan-3-one

C11H13ClO2 — CID 64866523

IUPAC2-(2-chlorophenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-3-10(13)8(2)14-11-7-5-4-6-9(11)12/h4-8H,3H2,1-2H3
InChIKeyFEOFDJGSIDQLLO-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-chlorophenoxy)pentan-3-one

2-(2-chlorophenoxy)pentan-3-one (PubChem CID 64866523) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)pentan-3-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)pentan-3-one
PubChem CID64866523
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(2-chlorophenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-3-10(13)8(2)14-11-7-5-4-6-9(11)12/h4-8H,3H2,1-2H3
InChIKeyFEOFDJGSIDQLLO-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenoxy)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 134037927
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
2-(2-benzyl-4-chlorophenoxy)pentan-3-one
CID 64866316

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)pentan-3-one?
The IUPAC name of 2-(2-chlorophenoxy)pentan-3-one (CID 64866523) is 2-(2-chlorophenoxy)pentan-3-one.
What is the SMILES notation for 2-(2-chlorophenoxy)pentan-3-one?
The canonical SMILES for 2-(2-chlorophenoxy)pentan-3-one is CCC(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)pentan-3-one?
The InChIKey is FEOFDJGSIDQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-10(13)8(2)14-11-7-5-4-6-9(11)12/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)pentan-3-one?
2-(2-chlorophenoxy)pentan-3-one has a molecular weight of 212.68 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)pentan-3-one is sourced from PubChem (CID 64866523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).