1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone

C15H12Cl2O2 — CID 83988374

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
SMILESCOc1cc(C(=O)Cc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O2/c1-19-15-8-11(12(16)9-13(15)17)14(18)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyNUZIWDDQHYTHKS-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone

1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone (PubChem CID 83988374) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
PubChem CID83988374
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
SMILESCOc1cc(C(=O)Cc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O2/c1-19-15-8-11(12(16)9-13(15)17)14(18)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyNUZIWDDQHYTHKS-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
CID 83988373
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone (CID 83988374) is 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone is COc1cc(C(=O)Cc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone?
The InChIKey is NUZIWDDQHYTHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-19-15-8-11(12(16)9-13(15)17)14(18)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone?
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone has a molecular weight of 295.17 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 83988374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).