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

C12H20O3 — CID 142152701

IUPACethane;1,2,3-trimethoxy-4-methylbenzene
SMILESCC.COc1ccc(C)c(OC)c1OC
InChIInChI=1S/C10H14O3.C2H6/c1-7-5-6-8(11-2)10(13-4)9(7)12-3;1-2/h5-6H,1-4H3;1-2H3
InChIKeyDQIGAHMBKCZRGF-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.05
Rot. Bonds3

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

ethane;1,2,3-trimethoxy-4-methylbenzene (PubChem CID 142152701) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethane;1,2,3-trimethoxy-4-methylbenzene.

Molecular Properties

Compound Nameethane;1,2,3-trimethoxy-4-methylbenzene
PubChem CID142152701
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethane;1,2,3-trimethoxy-4-methylbenzene
SMILESCC.COc1ccc(C)c(OC)c1OC
InChIInChI=1S/C10H14O3.C2H6/c1-7-5-6-8(11-2)10(13-4)9(7)12-3;1-2/h5-6H,1-4H3;1-2H3
InChIKeyDQIGAHMBKCZRGF-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
1-chloro-7,8-dimethoxy-2-methylphenanthrene
CID 10517362
ethane;1,2,6-trimethoxy-7-methylnaphthalene
CID 143769009
1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
CID 54341332
CID 54341332
2,3,4-trimethoxyaniline
CID 15455622
CID 66584049
CID 66584049
methyl 4-bromo-2-(2,3-dimethoxy-6-methylphenoxy)butanoate
CID 89424703
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3-trimethoxy-4-methylbenzene?
The IUPAC name of ethane;1,2,3-trimethoxy-4-methylbenzene (CID 142152701) is ethane;1,2,3-trimethoxy-4-methylbenzene.
What is the SMILES notation for ethane;1,2,3-trimethoxy-4-methylbenzene?
The canonical SMILES for ethane;1,2,3-trimethoxy-4-methylbenzene is CC.COc1ccc(C)c(OC)c1OC.
What is the InChIKey of ethane;1,2,3-trimethoxy-4-methylbenzene?
The InChIKey is DQIGAHMBKCZRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.C2H6/c1-7-5-6-8(11-2)10(13-4)9(7)12-3;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of ethane;1,2,3-trimethoxy-4-methylbenzene?
ethane;1,2,3-trimethoxy-4-methylbenzene has a molecular weight of 212.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3-trimethoxy-4-methylbenzene is sourced from PubChem (CID 142152701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).