1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene

C13H18O2 — CID 21129917

IUPAC1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cc(C)cc(OCC)c1OC
InChIInChI=1S/C13H18O2/c1-5-7-11-8-10(3)9-12(15-6-2)13(11)14-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyDWPZLVAIMWJWTA-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.13
Rot. Bonds5

About 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene

1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene (PubChem CID 21129917) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
PubChem CID21129917
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cc(C)cc(OCC)c1OC
InChIInChI=1S/C13H18O2/c1-5-7-11-8-10(3)9-12(15-6-2)13(11)14-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyDWPZLVAIMWJWTA-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057
4-ethoxy-N-[(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)methyl]aniline
CID 126126864
5-[(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126078624
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
5-[(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1344171
2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
CID 168554525
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
CID 54849601
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene?
The IUPAC name of 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene (CID 21129917) is 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene.
What is the SMILES notation for 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene?
The canonical SMILES for 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene is C=CCc1cc(C)cc(OCC)c1OC.
What is the InChIKey of 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene?
The InChIKey is DWPZLVAIMWJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-7-11-8-10(3)9-12(15-6-2)13(11)14-4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene?
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene has a molecular weight of 206.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene is sourced from PubChem (CID 21129917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).