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

C10H9Cl3O2 — CID 82627725

IUPAC3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)CCCl
InChIInChI=1S/C10H9Cl3O2/c1-15-10-5-8(13)7(12)4-6(10)9(14)2-3-11/h4-5H,2-3H2,1H3
InChIKeyFIKRMPRDWZMDFR-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.81
Rot. Bonds4

About 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one

3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one (PubChem CID 82627725) has the molecular formula C10H9Cl3O2 and a molecular weight of 267.54 g/mol. Its IUPAC name is 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
PubChem CID82627725
Molecular FormulaC10H9Cl3O2
Molecular Weight267.54 g/mol
Exact Mass265.97
IUPAC Name3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)CCCl
InChIInChI=1S/C10H9Cl3O2/c1-15-10-5-8(13)7(12)4-6(10)9(14)2-3-11/h4-5H,2-3H2,1H3
InChIKeyFIKRMPRDWZMDFR-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

methyl 4-(4,5-dichloro-2-methoxyphenyl)-4-oxobutanoate
CID 82553971
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 104645825
3-(3-chloropropanoyl)-4-methoxybenzoic acid
CID 82052284
3-amino-1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-1-one
CID 117392852
3-chloro-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 82262815
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463
1-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-one
CID 43340681

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one (CID 82627725) is 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one is COc1cc(Cl)c(Cl)cc1C(=O)CCCl.
What is the InChIKey of 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one?
The InChIKey is FIKRMPRDWZMDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O2/c1-15-10-5-8(13)7(12)4-6(10)9(14)2-3-11/h4-5H,2-3H2,1H3.
What are the key properties of 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one?
3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one has a molecular weight of 267.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82627725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).