2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone

C10H10Cl2O3 — CID 82626892

IUPAC2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)C(Cl)Cl)c1
InChIInChI=1S/C10H10Cl2O3/c1-14-6-3-4-8(15-2)7(5-6)9(13)10(11)12/h3-5,10H,1-2H3
InChIKeyZFHDDXKWFMSMPH-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.69
Rot. Bonds4

About 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone

2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone (PubChem CID 82626892) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
PubChem CID82626892
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)C(Cl)Cl)c1
InChIInChI=1S/C10H10Cl2O3/c1-14-6-3-4-8(15-2)7(5-6)9(13)10(11)12/h3-5,10H,1-2H3
InChIKeyZFHDDXKWFMSMPH-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
methyl 2-chloro-3-(2,5-dimethoxyphenyl)-3-oxopropanoate
CID 112513730
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
CID 82101101
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 46307670
methyl N-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]carbamoperoxoate
CID 141070388
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307671
4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
CID 82348759

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone (CID 82626892) is 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone is COc1ccc(OC)c(C(=O)C(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone?
The InChIKey is ZFHDDXKWFMSMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-14-6-3-4-8(15-2)7(5-6)9(13)10(11)12/h3-5,10H,1-2H3.
What are the key properties of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone?
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone has a molecular weight of 249.09 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 82626892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).