1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene

C18H20O4 — CID 5388779

IUPAC1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-
InChIKeyGGFQQRXTLIJXNY-WAYWQWQTSA-N
MW300.35 g/mol
LogP3.89
Rot. Bonds6

About 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene

1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 5388779) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID5388779
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-
InChIKeyGGFQQRXTLIJXNY-WAYWQWQTSA-N
XLogP3.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene (CID 5388779) is 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is GGFQQRXTLIJXNY-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-.
What are the key properties of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 300.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 5388779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).