1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene

C12H14O — CID 88997100

IUPAC1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1cccc(OC)c1/C=C\C
InChIInChI=1S/C12H14O/c1-4-7-11-10(5-2)8-6-9-12(11)13-3/h4-9H,2H2,1,3H3/b7-4-
InChIKeyUHFXPPVCMNOROA-DAXSKMNVSA-N
MW174.24 g/mol
LogP3.37
Rot. Bonds3

About 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene

1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene (PubChem CID 88997100) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
PubChem CID88997100
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1cccc(OC)c1/C=C\C
InChIInChI=1S/C12H14O/c1-4-7-11-10(5-2)8-6-9-12(11)13-3/h4-9H,2H2,1,3H3/b7-4-
InChIKeyUHFXPPVCMNOROA-DAXSKMNVSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene (CID 88997100) is 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene is C=Cc1cccc(OC)c1/C=C\C.
What is the InChIKey of 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is UHFXPPVCMNOROA-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H14O/c1-4-7-11-10(5-2)8-6-9-12(11)13-3/h4-9H,2H2,1,3H3/b7-4-.
What are the key properties of 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene?
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 174.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 88997100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).