1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone

C16H15ClO3 — CID 43162219

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
SMILESCOc1cc(Cl)c(C(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C16H15ClO3/c1-19-15-9-12(13(17)10-16(15)20-2)14(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyQFYBFPQHAUUMHT-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone

1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone (PubChem CID 43162219) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
PubChem CID43162219
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
SMILESCOc1cc(Cl)c(C(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C16H15ClO3/c1-19-15-9-12(13(17)10-16(15)20-2)14(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyQFYBFPQHAUUMHT-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-one
CID 43340681

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone (CID 43162219) is 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone is COc1cc(Cl)c(C(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone?
The InChIKey is QFYBFPQHAUUMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-15-9-12(13(17)10-16(15)20-2)14(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone?
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone has a molecular weight of 290.75 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 43162219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).