1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone

C16H15ClO3 — CID 43413925

IUPAC1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-11-6-7-15(16(8-11)19-2)20-10-14(18)12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyILWFFNWVNMHSKR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.92
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone

1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone (PubChem CID 43413925) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
PubChem CID43413925
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-11-6-7-15(16(8-11)19-2)20-10-14(18)12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyILWFFNWVNMHSKR-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
[2-(3-chlorophenyl)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 23935110
2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413893
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829
3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone
CID 162672729
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
CID 116689480
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 63565665
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone (CID 43413925) is 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone is COc1cc(C)ccc1OCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The InChIKey is ILWFFNWVNMHSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-6-7-15(16(8-11)19-2)20-10-14(18)12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone has a molecular weight of 290.75 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone is sourced from PubChem (CID 43413925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).