2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one

C17H17ClO2 — CID 62031979

IUPAC2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one
SMILESCCC(Oc1cc(C)ccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C17H17ClO2/c1-3-15(17(19)13-7-5-4-6-8-13)20-16-11-12(2)9-10-14(16)18/h4-11,15H,3H2,1-2H3
InChIKeyITRWEPFMHQVWRG-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one

2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one (PubChem CID 62031979) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one
PubChem CID62031979
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one
SMILESCCC(Oc1cc(C)ccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C17H17ClO2/c1-3-15(17(19)13-7-5-4-6-8-13)20-16-11-12(2)9-10-14(16)18/h4-11,15H,3H2,1-2H3
InChIKeyITRWEPFMHQVWRG-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2,4,5-trichlorophenoxy)butan-1-one
CID 63567597
2-(2-chloro-5-methylphenoxy)butanoyl chloride
CID 46779580
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
2-(2-bromo-4-chlorophenoxy)-1-phenylbutan-1-one
CID 63566899
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60623563
2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one
CID 43799872
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
2-(2-amino-4-methylphenoxy)-1-naphthalen-2-ylbutan-1-one
CID 46307916
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
2-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2-chloro-5-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112519863

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one (CID 62031979) is 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one is CCC(Oc1cc(C)ccc1Cl)C(=O)c1ccccc1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one?
The InChIKey is ITRWEPFMHQVWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-3-15(17(19)13-7-5-4-6-8-13)20-16-11-12(2)9-10-14(16)18/h4-11,15H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one?
2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one has a molecular weight of 288.77 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one is sourced from PubChem (CID 62031979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).