5-(3-chlorophenoxy)pentan-2-one

C11H13ClO2 — CID 62030286

IUPAC5-(3-chlorophenoxy)pentan-2-one
SMILESCC(=O)CCCOc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-9(13)4-3-7-14-11-6-2-5-10(12)8-11/h2,5-6,8H,3-4,7H2,1H3
InChIKeyFOLUDOSVSNQMGO-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.09
Rot. Bonds5

About 5-(3-chlorophenoxy)pentan-2-one

5-(3-chlorophenoxy)pentan-2-one (PubChem CID 62030286) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)pentan-2-one.

Molecular Properties

Compound Name5-(3-chlorophenoxy)pentan-2-one
PubChem CID62030286
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name5-(3-chlorophenoxy)pentan-2-one
SMILESCC(=O)CCCOc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-9(13)4-3-7-14-11-6-2-5-10(12)8-11/h2,5-6,8H,3-4,7H2,1H3
InChIKeyFOLUDOSVSNQMGO-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
3-(3-chlorophenoxy)propanamide
CID 23512799
CID 131885829
CID 131885829
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
5-(3-chlorophenoxy)pentanehydrazide
CID 63575491
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)pentan-2-one?
The IUPAC name of 5-(3-chlorophenoxy)pentan-2-one (CID 62030286) is 5-(3-chlorophenoxy)pentan-2-one.
What is the SMILES notation for 5-(3-chlorophenoxy)pentan-2-one?
The canonical SMILES for 5-(3-chlorophenoxy)pentan-2-one is CC(=O)CCCOc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenoxy)pentan-2-one?
The InChIKey is FOLUDOSVSNQMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-9(13)4-3-7-14-11-6-2-5-10(12)8-11/h2,5-6,8H,3-4,7H2,1H3.
What are the key properties of 5-(3-chlorophenoxy)pentan-2-one?
5-(3-chlorophenoxy)pentan-2-one has a molecular weight of 212.68 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)pentan-2-one is sourced from PubChem (CID 62030286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).