2-ethoxy-1-methoxy-4-propan-2-ylbenzene

C12H18O2 — CID 22087689

IUPAC2-ethoxy-1-methoxy-4-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)ccc1OC
InChIInChI=1S/C12H18O2/c1-5-14-12-8-10(9(2)3)6-7-11(12)13-4/h6-9H,5H2,1-4H3
InChIKeyCWTQFSLGRJSXGS-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.22
Rot. Bonds4

About 2-ethoxy-1-methoxy-4-propan-2-ylbenzene

2-ethoxy-1-methoxy-4-propan-2-ylbenzene (PubChem CID 22087689) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-ethoxy-1-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-ethoxy-1-methoxy-4-propan-2-ylbenzene
PubChem CID22087689
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-ethoxy-1-methoxy-4-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)ccc1OC
InChIInChI=1S/C12H18O2/c1-5-14-12-8-10(9(2)3)6-7-11(12)13-4/h6-9H,5H2,1-4H3
InChIKeyCWTQFSLGRJSXGS-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-1-methoxy-4-propan-2-ylbenzene 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

1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-(3-ethoxy-4-methoxyphenyl)butanenitrile
CID 135293000
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 2-ethoxy-1-methoxy-4-propan-2-ylbenzene (CID 22087689) is 2-ethoxy-1-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 2-ethoxy-1-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 2-ethoxy-1-methoxy-4-propan-2-ylbenzene is CCOc1cc(C(C)C)ccc1OC.
What is the InChIKey of 2-ethoxy-1-methoxy-4-propan-2-ylbenzene?
The InChIKey is CWTQFSLGRJSXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-14-12-8-10(9(2)3)6-7-11(12)13-4/h6-9H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1-methoxy-4-propan-2-ylbenzene?
2-ethoxy-1-methoxy-4-propan-2-ylbenzene has a molecular weight of 194.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 22087689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).