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

C10H10Cl2O3 — CID 82050544

IUPAC2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)CCl)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-14-9-4-10(15-2)7(12)3-6(9)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyNLGHKUQDTPEDHA-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.78
Rot. Bonds4

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

2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone (PubChem CID 82050544) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
PubChem CID82050544
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)CCl)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-14-9-4-10(15-2)7(12)3-6(9)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyNLGHKUQDTPEDHA-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463
3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82627725
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
CID 82553894
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82268072
methyl 4-(4,5-dichloro-2-methoxyphenyl)-4-oxobutanoate
CID 82553971
2-chloro-1-(2-chloro-5-iodo-3-methoxyphenyl)ethanone
CID 171003177
2-chloro-1-(2-chloro-3-methoxy-5-nitrophenyl)ethanone
CID 171002618
4-(2-chloroacetyl)-2-iodo-5-methoxybenzonitrile
CID 171025443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone (CID 82050544) is 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone is COc1cc(OC)c(C(=O)CCl)cc1Cl.
What is the InChIKey of 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone?
The InChIKey is NLGHKUQDTPEDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-14-9-4-10(15-2)7(12)3-6(9)8(13)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone?
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone has a molecular weight of 249.09 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 82050544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).