2-ethoxy-5-methoxy-1,3-dimethylbenzene

C11H16O2 — CID 130882299

IUPAC2-ethoxy-5-methoxy-1,3-dimethylbenzene
SMILESCCOc1c(C)cc(OC)cc1C
InChIInChI=1S/C11H16O2/c1-5-13-11-8(2)6-10(12-4)7-9(11)3/h6-7H,5H2,1-4H3
InChIKeyWSFFDACWVVLMGO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.71
Rot. Bonds3

About 2-ethoxy-5-methoxy-1,3-dimethylbenzene

2-ethoxy-5-methoxy-1,3-dimethylbenzene (PubChem CID 130882299) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethoxy-5-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-ethoxy-5-methoxy-1,3-dimethylbenzene
PubChem CID130882299
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-ethoxy-5-methoxy-1,3-dimethylbenzene
SMILESCCOc1c(C)cc(OC)cc1C
InChIInChI=1S/C11H16O2/c1-5-13-11-8(2)6-10(12-4)7-9(11)3/h6-7H,5H2,1-4H3
InChIKeyWSFFDACWVVLMGO-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-5-methoxy-1,3-dimethylbenzene 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

ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
2-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 91657255
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
CID 155631420
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
N-ethyl-4-methoxy-2,6-dimethylaniline
CID 23348858
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
CID 70476800

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methoxy-1,3-dimethylbenzene?
The IUPAC name of 2-ethoxy-5-methoxy-1,3-dimethylbenzene (CID 130882299) is 2-ethoxy-5-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 2-ethoxy-5-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 2-ethoxy-5-methoxy-1,3-dimethylbenzene is CCOc1c(C)cc(OC)cc1C.
What is the InChIKey of 2-ethoxy-5-methoxy-1,3-dimethylbenzene?
The InChIKey is WSFFDACWVVLMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-13-11-8(2)6-10(12-4)7-9(11)3/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethoxy-5-methoxy-1,3-dimethylbenzene?
2-ethoxy-5-methoxy-1,3-dimethylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 130882299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).