1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone

C15H13ClO3 — CID 43412672

IUPAC1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClO3/c1-18-13-3-2-4-14(9-13)19-10-15(17)11-5-7-12(16)8-6-11/h2-9H,10H2,1H3
InChIKeyKQIWGWXKURQQQH-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone

1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone (PubChem CID 43412672) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
PubChem CID43412672
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClO3/c1-18-13-3-2-4-14(9-13)19-10-15(17)11-5-7-12(16)8-6-11/h2-9H,10H2,1H3
InChIKeyKQIWGWXKURQQQH-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone (CID 43412672) is 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone is COc1cccc(OCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone?
The InChIKey is KQIWGWXKURQQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-13-3-2-4-14(9-13)19-10-15(17)11-5-7-12(16)8-6-11/h2-9H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone?
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone has a molecular weight of 276.72 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone is sourced from PubChem (CID 43412672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).