4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane

C12H19ClO3 — CID 145244698

IUPAC4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
SMILESCC.COc1cc(C)c(Cl)c(OC)c1OC
InChIInChI=1S/C10H13ClO3.C2H6/c1-6-5-7(12-2)9(13-3)10(14-4)8(6)11;1-2/h5H,1-4H3;1-2H3
InChIKeyAASWDJGCSBZLFN-UHFFFAOYSA-N
MW246.73 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane

4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane (PubChem CID 145244698) has the molecular formula C12H19ClO3 and a molecular weight of 246.73 g/mol. Its IUPAC name is 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane.

Molecular Properties

Compound Name4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
PubChem CID145244698
Molecular FormulaC12H19ClO3
Molecular Weight246.73 g/mol
Exact Mass246.10
IUPAC Name4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
SMILESCC.COc1cc(C)c(Cl)c(OC)c1OC
InChIInChI=1S/C10H13ClO3.C2H6/c1-6-5-7(12-2)9(13-3)10(14-4)8(6)11;1-2/h5H,1-4H3;1-2H3
InChIKeyAASWDJGCSBZLFN-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)butanoic acid
CID 117434529
1-chloro-7,8-dimethoxy-2-methylphenanthrene
CID 10517362
2-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117400482
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane?
The IUPAC name of 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane (CID 145244698) is 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane.
What is the SMILES notation for 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane?
The canonical SMILES for 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane is CC.COc1cc(C)c(Cl)c(OC)c1OC.
What is the InChIKey of 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane?
The InChIKey is AASWDJGCSBZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3.C2H6/c1-6-5-7(12-2)9(13-3)10(14-4)8(6)11;1-2/h5H,1-4H3;1-2H3.
What are the key properties of 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane?
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane has a molecular weight of 246.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane is sourced from PubChem (CID 145244698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).