2-(4-chloro-3-methylphenoxy)-1-phenylethanone

C15H13ClO2 — CID 54035942

IUPAC2-(4-chloro-3-methylphenoxy)-1-phenylethanone
SMILESCc1cc(OCC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-11-9-13(7-8-14(11)16)18-10-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyLIYDIENNLARYNU-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-1-phenylethanone

2-(4-chloro-3-methylphenoxy)-1-phenylethanone (PubChem CID 54035942) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-phenylethanone
PubChem CID54035942
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-phenylethanone
SMILESCc1cc(OCC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-11-9-13(7-8-14(11)16)18-10-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyLIYDIENNLARYNU-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-3-methylphenoxy)-1-phenylbutan-1-one
CID 60642749
2-(4-chloro-3-methylphenoxy)-1-(1H-pyrrol-2-yl)ethanone
CID 5124662
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
4-[2-(4-chloro-3-methylphenoxy)acetyl]oxybenzoic acid
CID 54854815
2-(3-chloro-4-nitrophenoxy)-1-phenylethanone
CID 47443115
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-ethylphenoxy)-1-(3-methylphenyl)ethanone
CID 63567266
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-phenylethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-phenylethanone (CID 54035942) is 2-(4-chloro-3-methylphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-phenylethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-phenylethanone is Cc1cc(OCC(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-phenylethanone?
The InChIKey is LIYDIENNLARYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-9-13(7-8-14(11)16)18-10-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-phenylethanone?
2-(4-chloro-3-methylphenoxy)-1-phenylethanone has a molecular weight of 260.72 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-phenylethanone is sourced from PubChem (CID 54035942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).