1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene

C17H20O2 — CID 89224685

IUPAC1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene
SMILESC=C(C)C(=C)/C=C\C(=C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20O2/c1-12(2)13(3)7-8-14(4)15-9-10-16(18-5)17(11-15)19-6/h7-11H,1,3-4H2,2,5-6H3/b8-7-
InChIKeyPYXKRWDNQGVZDR-FPLPWBNLSA-N
MW256.34 g/mol
LogP4.41
Rot. Bonds6

About 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene

1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene (PubChem CID 89224685) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene
PubChem CID89224685
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene
SMILESC=C(C)C(=C)/C=C\C(=C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20O2/c1-12(2)13(3)7-8-14(4)15-9-10-16(18-5)17(11-15)19-6/h7-11H,1,3-4H2,2,5-6H3/b8-7-
InChIKeyPYXKRWDNQGVZDR-FPLPWBNLSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Eugenol
CID 3314
Anethole
CID 637563
Safrole
CID 5144
Methyleugenol
CID 7127
Estragole
CID 8815
Isoeugenol
CID 853433
(-)-Secoisolariciresinol
CID 65373
Isosafrole
CID 637796
Asarone
CID 636822
4-Vinylguaiacol
CID 332
2-Methoxy-4-Methylphenol
CID 7144
4-Propylguaiacol
CID 17739

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene (CID 89224685) is 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene is C=C(C)C(=C)/C=C\C(=C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene?
The InChIKey is PYXKRWDNQGVZDR-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)13(3)7-8-14(4)15-9-10-16(18-5)17(11-15)19-6/h7-11H,1,3-4H2,2,5-6H3/b8-7-.
What are the key properties of 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene?
1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene has a molecular weight of 256.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]benzene is sourced from PubChem (CID 89224685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).