1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene

C13H18O — CID 83923935

IUPAC1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1c(C)cccc1OC
InChIInChI=1S/C13H18O/c1-4-5-6-9-12-11(2)8-7-10-13(12)14-3/h4-5,7-8,10H,6,9H2,1-3H3/b5-4-
InChIKeyVTTWDMKKCNFFIZ-PLNGDYQASA-N
MW190.29 g/mol
LogP3.51
Rot. Bonds4

About 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene

1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene (PubChem CID 83923935) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene
PubChem CID83923935
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1c(C)cccc1OC
InChIInChI=1S/C13H18O/c1-4-5-6-9-12-11(2)8-7-10-13(12)14-3/h4-5,7-8,10H,6,9H2,1-3H3/b5-4-
InChIKeyVTTWDMKKCNFFIZ-PLNGDYQASA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene?
The IUPAC name of 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene (CID 83923935) is 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene.
What is the SMILES notation for 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene?
The canonical SMILES for 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene is C/C=C\CCc1c(C)cccc1OC.
What is the InChIKey of 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene?
The InChIKey is VTTWDMKKCNFFIZ-PLNGDYQASA-N. The full InChI is InChI=1S/C13H18O/c1-4-5-6-9-12-11(2)8-7-10-13(12)14-3/h4-5,7-8,10H,6,9H2,1-3H3/b5-4-.
What are the key properties of 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene?
1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene is sourced from PubChem (CID 83923935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).