1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene

C14H20O — CID 83939746

IUPAC1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1ccc(OC)c(C)c1C
InChIInChI=1S/C14H20O/c1-5-6-7-8-13-9-10-14(15-4)12(3)11(13)2/h5-6,9-10H,7-8H2,1-4H3/b6-5-
InChIKeyWBMXTLPYDKGAFM-WAYWQWQTSA-N
MW204.31 g/mol
LogP3.82
Rot. Bonds4

About 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene

1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene (PubChem CID 83939746) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
PubChem CID83939746
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1ccc(OC)c(C)c1C
InChIInChI=1S/C14H20O/c1-5-6-7-8-13-9-10-14(15-4)12(3)11(13)2/h5-6,9-10H,7-8H2,1-4H3/b6-5-
InChIKeyWBMXTLPYDKGAFM-WAYWQWQTSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxy-2,3-dimethylphenyl)pentanal
CID 98014243
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
CID 83939747
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene
CID 83923935
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 59288378
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene?
The IUPAC name of 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene (CID 83939746) is 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene.
What is the SMILES notation for 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene?
The canonical SMILES for 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene is C/C=C\CCc1ccc(OC)c(C)c1C.
What is the InChIKey of 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene?
The InChIKey is WBMXTLPYDKGAFM-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-7-8-13-9-10-14(15-4)12(3)11(13)2/h5-6,9-10H,7-8H2,1-4H3/b6-5-.
What are the key properties of 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene?
1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene has a molecular weight of 204.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene is sourced from PubChem (CID 83939746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).