[(Z)-2,3-dimethoxyprop-1-enyl]benzene

C11H14O2 — CID 6440274

IUPAC[(Z)-2,3-dimethoxyprop-1-enyl]benzene
SMILESCOC/C(=C/c1ccccc1)OC
InChIInChI=1S/C11H14O2/c1-12-9-11(13-2)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8-
InChIKeyWSXXIMFOIMLGKY-FLIBITNWSA-N
MW178.23 g/mol
LogP2.32
Rot. Bonds4

About [(Z)-2,3-dimethoxyprop-1-enyl]benzene

[(Z)-2,3-dimethoxyprop-1-enyl]benzene (PubChem CID 6440274) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(Z)-2,3-dimethoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2,3-dimethoxyprop-1-enyl]benzene
PubChem CID6440274
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[(Z)-2,3-dimethoxyprop-1-enyl]benzene
SMILESCOC/C(=C/c1ccccc1)OC
InChIInChI=1S/C11H14O2/c1-12-9-11(13-2)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8-
InChIKeyWSXXIMFOIMLGKY-FLIBITNWSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-dimethoxyprop-1-enyl]benzene?
The IUPAC name of [(Z)-2,3-dimethoxyprop-1-enyl]benzene (CID 6440274) is [(Z)-2,3-dimethoxyprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-2,3-dimethoxyprop-1-enyl]benzene?
The canonical SMILES for [(Z)-2,3-dimethoxyprop-1-enyl]benzene is COC/C(=C/c1ccccc1)OC.
What is the InChIKey of [(Z)-2,3-dimethoxyprop-1-enyl]benzene?
The InChIKey is WSXXIMFOIMLGKY-FLIBITNWSA-N. The full InChI is InChI=1S/C11H14O2/c1-12-9-11(13-2)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8-.
What are the key properties of [(Z)-2,3-dimethoxyprop-1-enyl]benzene?
[(Z)-2,3-dimethoxyprop-1-enyl]benzene has a molecular weight of 178.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-dimethoxyprop-1-enyl]benzene is sourced from PubChem (CID 6440274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).