4-(4-chlorophenoxy)pentan-2-one

C11H13ClO2 — CID 64698945

IUPAC4-(4-chlorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(13)7-9(2)14-11-5-3-10(12)4-6-11/h3-6,9H,7H2,1-2H3
InChIKeyDAYNPLAZFFHNBS-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.09
Rot. Bonds4

About 4-(4-chlorophenoxy)pentan-2-one

4-(4-chlorophenoxy)pentan-2-one (PubChem CID 64698945) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(4-chlorophenoxy)pentan-2-one
PubChem CID64698945
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name4-(4-chlorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(13)7-9(2)14-11-5-3-10(12)4-6-11/h3-6,9H,7H2,1-2H3
InChIKeyDAYNPLAZFFHNBS-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

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Related Compounds

4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
2-[4-(4-chlorophenoxy)phenoxy]propyl acetate
CID 54569126
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
2-(4-chlorophenoxy)propyl propanoate
CID 174445519
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
2-[2-(4-chlorophenoxy)propoxyamino]prop-2-enoic acid
CID 57013683
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
4-[4-(4-isocyanatobenzoyl)phenoxy]pentan-2-one
CID 144556791
methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)pentan-2-one?
The IUPAC name of 4-(4-chlorophenoxy)pentan-2-one (CID 64698945) is 4-(4-chlorophenoxy)pentan-2-one.
What is the SMILES notation for 4-(4-chlorophenoxy)pentan-2-one?
The canonical SMILES for 4-(4-chlorophenoxy)pentan-2-one is CC(=O)CC(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)pentan-2-one?
The InChIKey is DAYNPLAZFFHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(13)7-9(2)14-11-5-3-10(12)4-6-11/h3-6,9H,7H2,1-2H3.
What are the key properties of 4-(4-chlorophenoxy)pentan-2-one?
4-(4-chlorophenoxy)pentan-2-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 4-(4-chlorophenoxy)pentan-2-one is sourced from PubChem (CID 64698945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).