2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one

C10H9Cl3O2 — CID 130136829

IUPAC2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3O2/c1-5(11)10(14)6-3-9(15-2)8(13)4-7(6)12/h3-5H,1-2H3
InChIKeyWEXVQZPQKRCMJB-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.81
Rot. Bonds3

About 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one

2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one (PubChem CID 130136829) has the molecular formula C10H9Cl3O2 and a molecular weight of 267.54 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one
PubChem CID130136829
Molecular FormulaC10H9Cl3O2
Molecular Weight267.54 g/mol
Exact Mass265.97
IUPAC Name2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3O2/c1-5(11)10(14)6-3-9(15-2)8(13)4-7(6)12/h3-5H,1-2H3
InChIKeyWEXVQZPQKRCMJB-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2,4-dimethoxyphenyl)-2-chloropropan-1-one
CID 82050583
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2-chloro-1-(3-methoxy-2-methylphenyl)propan-1-one
CID 130910393
1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
CID 83988373
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
1-(2,4-dichloro-5-methoxyphenyl)pent-4-en-1-one
CID 146009948
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
1-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-one
CID 43340681
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one (CID 130136829) is 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one is COc1cc(C(=O)C(C)Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one?
The InChIKey is WEXVQZPQKRCMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O2/c1-5(11)10(14)6-3-9(15-2)8(13)4-7(6)12/h3-5H,1-2H3.
What are the key properties of 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one?
2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one has a molecular weight of 267.54 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 130136829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).