4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol

C16H16O4 — CID 5280698

IUPAC4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+
InChIKeyKQPXJFAYGYIGRU-ONEGZZNKSA-N
MW272.30 g/mol
LogP3.29
Rot. Bonds4

About 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol

4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol (PubChem CID 5280698) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
PubChem CID5280698
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+
InChIKeyKQPXJFAYGYIGRU-ONEGZZNKSA-N
XLogP3.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Eugenol
CID 3314
Ferulic Acid
CID 445858
Methyleugenol
CID 7127
Isoeugenol
CID 853433
Curcumin
CID 969516
Tetrahydrocurcumin
CID 124072
Pterostilbene
CID 5281727
Masoprocol
CID 71398
(-)-Secoisolariciresinol
CID 65373
4-Vinylguaiacol
CID 332
2-Methoxy-4-Methylphenol
CID 7144
Zingerone
CID 31211

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol (CID 5280698) is 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol?
The InChIKey is KQPXJFAYGYIGRU-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol?
4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol has a molecular weight of 272.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 5280698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).