2-ethoxy-3-ethyl-1,4-dimethylbenzene

C12H18O — CID 145358805

IUPAC2-ethoxy-3-ethyl-1,4-dimethylbenzene
SMILESCCOc1c(C)ccc(C)c1CC
InChIInChI=1S/C12H18O/c1-5-11-9(3)7-8-10(4)12(11)13-6-2/h7-8H,5-6H2,1-4H3
InChIKeyWTBBHOBIZYYSGI-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.26
Rot. Bonds3

About 2-ethoxy-3-ethyl-1,4-dimethylbenzene

2-ethoxy-3-ethyl-1,4-dimethylbenzene (PubChem CID 145358805) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-1,4-dimethylbenzene
PubChem CID145358805
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-ethoxy-3-ethyl-1,4-dimethylbenzene
SMILESCCOc1c(C)ccc(C)c1CC
InChIInChI=1S/C12H18O/c1-5-11-9(3)7-8-10(4)12(11)13-6-2/h7-8H,5-6H2,1-4H3
InChIKeyWTBBHOBIZYYSGI-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine
CID 82266889
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
2-ethoxy-1,3-dimethylbenzene;trichloroalumane
CID 175224495
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
2-ethoxy-4-methyl-3-prop-2-enylaniline
CID 20792230
2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
1-ethyl-2,6-dimethylnaphthalene
CID 20601360
3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
CID 20690288
3-chloro-1-(2-ethoxy-3,6-dimethylphenyl)propan-1-one
CID 82266880
1-bromo-4-ethoxy-2,3,5-trimethylbenzene
CID 143804486
2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
CID 130005479
1,2,3,4,5-pentaethoxy-6-methylbenzene
CID 173439159

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-1,4-dimethylbenzene?
The IUPAC name of 2-ethoxy-3-ethyl-1,4-dimethylbenzene (CID 145358805) is 2-ethoxy-3-ethyl-1,4-dimethylbenzene.
What is the SMILES notation for 2-ethoxy-3-ethyl-1,4-dimethylbenzene?
The canonical SMILES for 2-ethoxy-3-ethyl-1,4-dimethylbenzene is CCOc1c(C)ccc(C)c1CC.
What is the InChIKey of 2-ethoxy-3-ethyl-1,4-dimethylbenzene?
The InChIKey is WTBBHOBIZYYSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-11-9(3)7-8-10(4)12(11)13-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-3-ethyl-1,4-dimethylbenzene?
2-ethoxy-3-ethyl-1,4-dimethylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-1,4-dimethylbenzene is sourced from PubChem (CID 145358805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).