1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene

C13H20O2 — CID 144562755

IUPAC1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
SMILESCCc1cc(C(C)C)cc(OC)c1OC
InChIInChI=1S/C13H20O2/c1-6-10-7-11(9(2)3)8-12(14-4)13(10)15-5/h7-9H,6H2,1-5H3
InChIKeyVTZNXXDITFGADK-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.39
Rot. Bonds4

About 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene

1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene (PubChem CID 144562755) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
PubChem CID144562755
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
SMILESCCc1cc(C(C)C)cc(OC)c1OC
InChIInChI=1S/C13H20O2/c1-6-10-7-11(9(2)3)8-12(14-4)13(10)15-5/h7-9H,6H2,1-5H3
InChIKeyVTZNXXDITFGADK-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2,3-dimethoxy-5-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

ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117376984
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol
CID 84683414
5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
CID 15310594
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene (CID 144562755) is 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene is CCc1cc(C(C)C)cc(OC)c1OC.
What is the InChIKey of 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
The InChIKey is VTZNXXDITFGADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-6-10-7-11(9(2)3)8-12(14-4)13(10)15-5/h7-9H,6H2,1-5H3.
What are the key properties of 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 144562755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).