1,2-diethoxy-4-propylbenzene

C13H20O2 — CID 3995471

IUPAC1,2-diethoxy-4-propylbenzene
SMILESCCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H20O2/c1-4-7-11-8-9-12(14-5-2)13(10-11)15-6-3/h8-10H,4-7H2,1-3H3
InChIKeyMQKBEPIFFKPRRO-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.44
Rot. Bonds6

About 1,2-diethoxy-4-propylbenzene

1,2-diethoxy-4-propylbenzene (PubChem CID 3995471) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,2-diethoxy-4-propylbenzene.

Molecular Properties

Compound Name1,2-diethoxy-4-propylbenzene
PubChem CID3995471
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,2-diethoxy-4-propylbenzene
SMILESCCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H20O2/c1-4-7-11-8-9-12(14-5-2)13(10-11)15-6-3/h8-10H,4-7H2,1-3H3
InChIKeyMQKBEPIFFKPRRO-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-diethoxy-4-propylbenzene 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

1,2-diethoxy-4-(3-ethoxypropyl)benzene
CID 142643440
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
(3,4-diethoxyphenyl)methylazanium
CID 7019296
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
4-(3-bromo-4-methylpentyl)-1,2-diethoxybenzene
CID 64507643
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
4-amino-1-(3,4-diethoxyphenyl)heptan-3-ol
CID 83923629
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-ethoxy-4-ethyl-1-propylbenzene
CID 14665571

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-4-propylbenzene?
The IUPAC name of 1,2-diethoxy-4-propylbenzene (CID 3995471) is 1,2-diethoxy-4-propylbenzene.
What is the SMILES notation for 1,2-diethoxy-4-propylbenzene?
The canonical SMILES for 1,2-diethoxy-4-propylbenzene is CCCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1,2-diethoxy-4-propylbenzene?
The InChIKey is MQKBEPIFFKPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-7-11-8-9-12(14-5-2)13(10-11)15-6-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,2-diethoxy-4-propylbenzene?
1,2-diethoxy-4-propylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-4-propylbenzene is sourced from PubChem (CID 3995471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).