1-methoxy-2,3-bis(prop-2-enoxy)benzene

C13H16O3 — CID 11160335

IUPAC1-methoxy-2,3-bis(prop-2-enoxy)benzene
SMILESC=CCOc1cccc(OC)c1OCC=C
InChIInChI=1S/C13H16O3/c1-4-9-15-12-8-6-7-11(14-3)13(12)16-10-5-2/h4-8H,1-2,9-10H2,3H3
InChIKeyQMZGHMJLESLTMG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.82
Rot. Bonds7

About 1-methoxy-2,3-bis(prop-2-enoxy)benzene

1-methoxy-2,3-bis(prop-2-enoxy)benzene (PubChem CID 11160335) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-methoxy-2,3-bis(prop-2-enoxy)benzene.

Molecular Properties

Compound Name1-methoxy-2,3-bis(prop-2-enoxy)benzene
PubChem CID11160335
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-methoxy-2,3-bis(prop-2-enoxy)benzene
SMILESC=CCOc1cccc(OC)c1OCC=C
InChIInChI=1S/C13H16O3/c1-4-9-15-12-8-6-7-11(14-3)13(12)16-10-5-2/h4-8H,1-2,9-10H2,3H3
InChIKeyQMZGHMJLESLTMG-UHFFFAOYSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodoethynyl)-3-methoxy-2-prop-2-enoxybenzene
CID 101448518
(E)-3-(3-methoxy-2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43471785
2,3-bis(prop-2-enoxy)benzonitrile
CID 118571042
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
2-ethenoxy-1,3-dimethoxybenzene
CID 66367387
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
1-prop-2-enoxyanthracene
CID 141089148
2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane
CID 177394932
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 7991094

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-bis(prop-2-enoxy)benzene?
The IUPAC name of 1-methoxy-2,3-bis(prop-2-enoxy)benzene (CID 11160335) is 1-methoxy-2,3-bis(prop-2-enoxy)benzene.
What is the SMILES notation for 1-methoxy-2,3-bis(prop-2-enoxy)benzene?
The canonical SMILES for 1-methoxy-2,3-bis(prop-2-enoxy)benzene is C=CCOc1cccc(OC)c1OCC=C.
What is the InChIKey of 1-methoxy-2,3-bis(prop-2-enoxy)benzene?
The InChIKey is QMZGHMJLESLTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-9-15-12-8-6-7-11(14-3)13(12)16-10-5-2/h4-8H,1-2,9-10H2,3H3.
What are the key properties of 1-methoxy-2,3-bis(prop-2-enoxy)benzene?
1-methoxy-2,3-bis(prop-2-enoxy)benzene has a molecular weight of 220.27 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-bis(prop-2-enoxy)benzene is sourced from PubChem (CID 11160335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).