ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene

C23H38O2 — CID 171649028

IUPACethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
SMILESCC.CC.COc1cc(C)c(C)c(C)c1.COc1ccc(C)c(C)c1
InChIInChI=1S/C10H14O.C9H12O.2C2H6/c1-7-5-10(11-4)6-8(2)9(7)3;1-7-4-5-9(10-3)6-8(7)2;2*1-2/h5-6H,1-4H3;4-6H,1-3H3;2*1-2H3
InChIKeyGQQLSAQGLGUQDC-UHFFFAOYSA-N
MW346.56 g/mol
LogP6.98
Rot. Bonds2

About ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene

ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene (PubChem CID 171649028) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene.

Molecular Properties

Compound Nameethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
PubChem CID171649028
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Nameethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
SMILESCC.CC.COc1cc(C)c(C)c(C)c1.COc1ccc(C)c(C)c1
InChIInChI=1S/C10H14O.C9H12O.2C2H6/c1-7-5-10(11-4)6-8(2)9(7)3;1-7-4-5-9(10-3)6-8(7)2;2*1-2/h5-6H,1-4H3;4-6H,1-3H3;2*1-2H3
InChIKeyGQQLSAQGLGUQDC-UHFFFAOYSA-N
XLogP6.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
5-methoxy-N,2,3-trimethylaniline
CID 123380294
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 158671068
azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 11146932
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
CID 59952153
CID 59952153

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?
The IUPAC name of ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene (CID 171649028) is ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene.
What is the SMILES notation for ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?
The canonical SMILES for ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene is CC.CC.COc1cc(C)c(C)c(C)c1.COc1ccc(C)c(C)c1.
What is the InChIKey of ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?
The InChIKey is GQQLSAQGLGUQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H12O.2C2H6/c1-7-5-10(11-4)6-8(2)9(7)3;1-7-4-5-9(10-3)6-8(7)2;2*1-2/h5-6H,1-4H3;4-6H,1-3H3;2*1-2H3.
What are the key properties of ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene has a molecular weight of 346.56 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene is sourced from PubChem (CID 171649028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).