1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone

C16H15ClO3 — CID 62031532

IUPAC1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
SMILESCOc1cccc(COCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3/c1-19-13-6-4-5-12(9-13)10-20-11-16(18)14-7-2-3-8-15(14)17/h2-9H,10-11H2,1H3
InChIKeyYMKVAQBUYWOPAB-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.75
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone

1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone (PubChem CID 62031532) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
PubChem CID62031532
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
SMILESCOc1cccc(COCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3/c1-19-13-6-4-5-12(9-13)10-20-11-16(18)14-7-2-3-8-15(14)17/h2-9H,10-11H2,1H3
InChIKeyYMKVAQBUYWOPAB-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031147
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 43411968
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46471065
3-chloro-4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 102670098
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate
CID 63892220
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone (CID 62031532) is 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone is COc1cccc(COCC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone?
The InChIKey is YMKVAQBUYWOPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-13-6-4-5-12(9-13)10-20-11-16(18)14-7-2-3-8-15(14)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone?
1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone has a molecular weight of 290.75 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone is sourced from PubChem (CID 62031532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).