2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone

C15H10Cl4O2 — CID 105349407

IUPAC2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4O2/c1-21-12-5-3-2-4-8(12)6-11(20)13-9(16)7-10(17)14(18)15(13)19/h2-5,7H,6H2,1H3
InChIKeyZRWODPGNWJRNMH-UHFFFAOYSA-N
MW364.06 g/mol
LogP5.73
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone

2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone (PubChem CID 105349407) has the molecular formula C15H10Cl4O2 and a molecular weight of 364.06 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
PubChem CID105349407
Molecular FormulaC15H10Cl4O2
Molecular Weight364.06 g/mol
Exact Mass361.94
IUPAC Name2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4O2/c1-21-12-5-3-2-4-8(12)6-11(20)13-9(16)7-10(17)14(18)15(13)19/h2-5,7H,6H2,1H3
InChIKeyZRWODPGNWJRNMH-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.06
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
2-(2-methoxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 3375078
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152945
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone (CID 105349407) is 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone is COc1ccccc1CC(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
The InChIKey is ZRWODPGNWJRNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4O2/c1-21-12-5-3-2-4-8(12)6-11(20)13-9(16)7-10(17)14(18)15(13)19/h2-5,7H,6H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone has a molecular weight of 364.06 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone is sourced from PubChem (CID 105349407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).