3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane

C11H12Cl2O2 — CID 116864108

IUPAC3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane
SMILESCOc1ccc(C2OC2(C)C)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O2/c1-11(2)10(15-11)6-4-5-7(14-3)9(13)8(6)12/h4-5,10H,1-3H3
InChIKeyKOWAWCXIIIDPKW-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.85
Rot. Bonds2

About 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane

3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane (PubChem CID 116864108) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane
PubChem CID116864108
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane
SMILESCOc1ccc(C2OC2(C)C)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O2/c1-11(2)10(15-11)6-4-5-7(14-3)9(13)8(6)12/h4-5,10H,1-3H3
InChIKeyKOWAWCXIIIDPKW-UHFFFAOYSA-N
XLogP3.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[2,3-Dichloro-4-(3-fluoropropoxy)phenyl]methanol
CID 140798724
2,3-Dichloro-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 156148934
2,3-Dichloro-1-methoxy-4-methylbenzene
CID 53890164
1-(2,3-Dichloro-4-methoxyphenyl)propane-1,2-diol
CID 84170514
Methyl 3-(2,3-dichloro-4-methoxyphenyl)oxirane-2-carboxylate
CID 86103389
4-Methoxy-2,3,3',4'-tetrachlorobiphenyl
CID 86183687
Dichlorobisphenol a dimethyl ether
CID 129674171
Tetrachloromethoxydiphenyl-methane
CID 129774495
1,1,1-Trichloro-2,2'-bis(p-methoxyphenyl) ethane
CID 129865491
(2S)-2-[[(1S)-1-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179821
(2S)-2-[[(1R)-1-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179822
(2R)-2-[[(1S)-1-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179823

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane (CID 116864108) is 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane is COc1ccc(C2OC2(C)C)c(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane?
The InChIKey is KOWAWCXIIIDPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-11(2)10(15-11)6-4-5-7(14-3)9(13)8(6)12/h4-5,10H,1-3H3.
What are the key properties of 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane?
3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane has a molecular weight of 247.12 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane is sourced from PubChem (CID 116864108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).