1-(3-ethoxypropyl)-2-ethylbenzene

C13H20O — CID 143469114

IUPAC1-(3-ethoxypropyl)-2-ethylbenzene
SMILESCCOCCCc1ccccc1CC
InChIInChI=1S/C13H20O/c1-3-12-8-5-6-9-13(12)10-7-11-14-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyLBQVSVNVLIOZSQ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.22
Rot. Bonds6

About 1-(3-ethoxypropyl)-2-ethylbenzene

1-(3-ethoxypropyl)-2-ethylbenzene (PubChem CID 143469114) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-ethylbenzene.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-ethylbenzene
PubChem CID143469114
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(3-ethoxypropyl)-2-ethylbenzene
SMILESCCOCCCc1ccccc1CC
InChIInChI=1S/C13H20O/c1-3-12-8-5-6-9-13(12)10-7-11-14-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyLBQVSVNVLIOZSQ-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-ethoxypropyl)-2-ethylbenzene 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-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
1-ethyl-2-henicosylbenzene
CID 141174443
2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene
CID 159560663
bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
1,2-diethylbenzene;hydrobromide
CID 174973685
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
2-(2-ethylphenyl)ethyl formate
CID 58551958
2-(2-ethoxyethyl)aniline
CID 14619442
6-ethoxyhexylbenzene
CID 54300935
1,2-diethylbenzene;silyloxysilane
CID 158803052
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-ethylbenzene?
The IUPAC name of 1-(3-ethoxypropyl)-2-ethylbenzene (CID 143469114) is 1-(3-ethoxypropyl)-2-ethylbenzene.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-ethylbenzene?
The canonical SMILES for 1-(3-ethoxypropyl)-2-ethylbenzene is CCOCCCc1ccccc1CC.
What is the InChIKey of 1-(3-ethoxypropyl)-2-ethylbenzene?
The InChIKey is LBQVSVNVLIOZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-12-8-5-6-9-13(12)10-7-11-14-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-2-ethylbenzene?
1-(3-ethoxypropyl)-2-ethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-ethylbenzene is sourced from PubChem (CID 143469114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).