1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene

C14H20O3 — CID 22295057

IUPAC1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1cc(OC)c(OCC)cc1OCC
InChIInChI=1S/C14H20O3/c1-5-8-11-9-13(15-4)14(17-7-3)10-12(11)16-6-2/h5,9-10H,1,6-8H2,2-4H3
InChIKeyQBIBLMYELCDZSC-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds7

About 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene

1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene (PubChem CID 22295057) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
PubChem CID22295057
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1cc(OC)c(OCC)cc1OCC
InChIInChI=1S/C14H20O3/c1-5-8-11-9-13(15-4)14(17-7-3)10-12(11)16-6-2/h5,9-10H,1,6-8H2,2-4H3
InChIKeyQBIBLMYELCDZSC-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene 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

1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
1-[(E)-but-2-enyl]-4-ethoxy-5-methoxy-2-(prop-2-enoxymethyl)benzene
CID 11425874
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 66530458
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117
[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol
CID 23247254

Frequently Asked Questions

What is the IUPAC name of 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene (CID 22295057) is 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene is C=CCc1cc(OC)c(OCC)cc1OCC.
What is the InChIKey of 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is QBIBLMYELCDZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-8-11-9-13(15-4)14(17-7-3)10-12(11)16-6-2/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene?
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 236.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 22295057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).