1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone

C16H15ClO4 — CID 43411968

IUPAC1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO4/c1-19-11-7-12(20-2)9-13(8-11)21-10-16(18)14-5-3-4-6-15(14)17/h3-9H,10H2,1-2H3
InChIKeyWQUMBLBVBNBVPY-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.62
Rot. Bonds6

About 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone

1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone (PubChem CID 43411968) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
PubChem CID43411968
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO4/c1-19-11-7-12(20-2)9-13(8-11)21-10-16(18)14-5-3-4-6-15(14)17/h3-9H,10H2,1-2H3
InChIKeyWQUMBLBVBNBVPY-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-chlorophenyl)-2-oxoethoxy]-5-methoxybenzonitrile
CID 103568002
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031532
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411982
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone (CID 43411968) is 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone is COc1cc(OC)cc(OCC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone?
The InChIKey is WQUMBLBVBNBVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-19-11-7-12(20-2)9-13(8-11)21-10-16(18)14-5-3-4-6-15(14)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone?
1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone has a molecular weight of 306.75 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone is sourced from PubChem (CID 43411968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).