1,3-dimethoxy-2-prop-2-enylbenzene

C11H14O2 — CID 3014232

IUPAC1,3-dimethoxy-2-prop-2-enylbenzene
SMILESC=CCc1c(OC)cccc1OC
InChIInChI=1S/C11H14O2/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-5,7-8H,1,6H2,2-3H3
InChIKeyFQXWJEKXPIMZAP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.43
Rot. Bonds4

About 1,3-dimethoxy-2-prop-2-enylbenzene

1,3-dimethoxy-2-prop-2-enylbenzene (PubChem CID 3014232) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,3-dimethoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-prop-2-enylbenzene
PubChem CID3014232
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1,3-dimethoxy-2-prop-2-enylbenzene
SMILESC=CCc1c(OC)cccc1OC
InChIInChI=1S/C11H14O2/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-5,7-8H,1,6H2,2-3H3
InChIKeyFQXWJEKXPIMZAP-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.43
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-methoxy-3-[(1E,3E,5E)-6-(3-methoxy-2-prop-2-enylphenyl)hexa-1,3,5-trienyl]-2-prop-2-enylbenzene
CID 102152712
1-(3-methoxy-2-prop-2-enylphenyl)piperidine
CID 101476464
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
tert-butyl-[(3-methoxy-2-prop-2-enylphenyl)methoxy]-dimethylsilane
CID 11197121
2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
CID 46910681
(6S)-1-(3-methoxy-2-prop-2-enylphenyl)hept-2-yne-1,6-diol
CID 137451301
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
(1S)-1-(2,6-dimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171220704
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-prop-2-enylbenzene?
The IUPAC name of 1,3-dimethoxy-2-prop-2-enylbenzene (CID 3014232) is 1,3-dimethoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1,3-dimethoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1,3-dimethoxy-2-prop-2-enylbenzene is C=CCc1c(OC)cccc1OC.
What is the InChIKey of 1,3-dimethoxy-2-prop-2-enylbenzene?
The InChIKey is FQXWJEKXPIMZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-5,7-8H,1,6H2,2-3H3.
What are the key properties of 1,3-dimethoxy-2-prop-2-enylbenzene?
1,3-dimethoxy-2-prop-2-enylbenzene has a molecular weight of 178.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 3014232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).