1-(2,3-dichloro-6-ethoxyphenyl)ethanone

C10H10Cl2O2 — CID 171007787

IUPAC1-(2,3-dichloro-6-ethoxyphenyl)ethanone
SMILESCCOc1ccc(Cl)c(Cl)c1C(C)=O
InChIInChI=1S/C10H10Cl2O2/c1-3-14-8-5-4-7(11)10(12)9(8)6(2)13/h4-5H,3H2,1-2H3
InChIKeyXBLOJZZVKQDCPG-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.59
Rot. Bonds3

About 1-(2,3-dichloro-6-ethoxyphenyl)ethanone

1-(2,3-dichloro-6-ethoxyphenyl)ethanone (PubChem CID 171007787) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 1-(2,3-dichloro-6-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dichloro-6-ethoxyphenyl)ethanone
PubChem CID171007787
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name1-(2,3-dichloro-6-ethoxyphenyl)ethanone
SMILESCCOc1ccc(Cl)c(Cl)c1C(C)=O
InChIInChI=1S/C10H10Cl2O2/c1-3-14-8-5-4-7(11)10(12)9(8)6(2)13/h4-5H,3H2,1-2H3
InChIKeyXBLOJZZVKQDCPG-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
CID 171002747
3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide
CID 174825754
1-[4-acetyl-1-(3-chloro-4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 69275411
1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
3-acetyl-4-ethoxy-2-fluorobenzaldehyde
CID 171003136
2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
CID 18444833
1-(3-ethoxy-2-iodo-6-methylphenyl)ethanone
CID 171013372
1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
CID 171013572
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-6-ethoxyphenyl)ethanone?
The IUPAC name of 1-(2,3-dichloro-6-ethoxyphenyl)ethanone (CID 171007787) is 1-(2,3-dichloro-6-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dichloro-6-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(2,3-dichloro-6-ethoxyphenyl)ethanone is CCOc1ccc(Cl)c(Cl)c1C(C)=O.
What is the InChIKey of 1-(2,3-dichloro-6-ethoxyphenyl)ethanone?
The InChIKey is XBLOJZZVKQDCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-3-14-8-5-4-7(11)10(12)9(8)6(2)13/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2,3-dichloro-6-ethoxyphenyl)ethanone?
1-(2,3-dichloro-6-ethoxyphenyl)ethanone has a molecular weight of 233.09 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-6-ethoxyphenyl)ethanone is sourced from PubChem (CID 171007787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).