5-(2-chloro-4-phenylphenoxy)pentan-2-one

C17H17ClO2 — CID 62029499

IUPAC5-(2-chloro-4-phenylphenoxy)pentan-2-one
SMILESCC(=O)CCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClO2/c1-13(19)6-5-11-20-17-10-9-15(12-16(17)18)14-7-3-2-4-8-14/h2-4,7-10,12H,5-6,11H2,1H3
InChIKeyDYDWNWBSRJVJEC-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.76
Rot. Bonds6

About 5-(2-chloro-4-phenylphenoxy)pentan-2-one

5-(2-chloro-4-phenylphenoxy)pentan-2-one (PubChem CID 62029499) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 5-(2-chloro-4-phenylphenoxy)pentan-2-one.

Molecular Properties

Compound Name5-(2-chloro-4-phenylphenoxy)pentan-2-one
PubChem CID62029499
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name5-(2-chloro-4-phenylphenoxy)pentan-2-one
SMILESCC(=O)CCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClO2/c1-13(19)6-5-11-20-17-10-9-15(12-16(17)18)14-7-3-2-4-8-14/h2-4,7-10,12H,5-6,11H2,1H3
InChIKeyDYDWNWBSRJVJEC-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.76
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

2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
CID 63499479
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
6-[2-chloro-4-(3,4-dichlorophenyl)phenoxy]hexanoic acid
CID 69049805
N-[2-(2-chloro-4-phenylphenoxy)ethyl]butan-1-amine
CID 63506720
1-(3-azidopropoxy)-2-chloro-4-phenylbenzene
CID 63464160
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone
CID 7652853
3-[(2-chloro-4-phenylphenoxy)methyl]pentan-3-ol
CID 114495970
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571020
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine
CID 62571019
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-phenylphenoxy)pentan-2-one?
The IUPAC name of 5-(2-chloro-4-phenylphenoxy)pentan-2-one (CID 62029499) is 5-(2-chloro-4-phenylphenoxy)pentan-2-one.
What is the SMILES notation for 5-(2-chloro-4-phenylphenoxy)pentan-2-one?
The canonical SMILES for 5-(2-chloro-4-phenylphenoxy)pentan-2-one is CC(=O)CCCOc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-phenylphenoxy)pentan-2-one?
The InChIKey is DYDWNWBSRJVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-13(19)6-5-11-20-17-10-9-15(12-16(17)18)14-7-3-2-4-8-14/h2-4,7-10,12H,5-6,11H2,1H3.
What are the key properties of 5-(2-chloro-4-phenylphenoxy)pentan-2-one?
5-(2-chloro-4-phenylphenoxy)pentan-2-one has a molecular weight of 288.77 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-phenylphenoxy)pentan-2-one is sourced from PubChem (CID 62029499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).