4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol

C15H14O4 — CID 155072350

IUPAC4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol
SMILESCOc1cc(O)c(O)cc1/C=C/c1cccc(O)c1
InChIInChI=1S/C15H14O4/c1-19-15-9-14(18)13(17)8-11(15)6-5-10-3-2-4-12(16)7-10/h2-9,16-18H,1H3/b6-5+
InChIKeyFQGVQWLUVXYBPS-AATRIKPKSA-N
MW258.27 g/mol
LogP2.98
Rot. Bonds3

About 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol

4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol (PubChem CID 155072350) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol
PubChem CID155072350
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol
SMILESCOc1cc(O)c(O)cc1/C=C/c1cccc(O)c1
InChIInChI=1S/C15H14O4/c1-19-15-9-14(18)13(17)8-11(15)6-5-10-3-2-4-12(16)7-10/h2-9,16-18H,1H3/b6-5+
InChIKeyFQGVQWLUVXYBPS-AATRIKPKSA-N
XLogP2.98
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
4-[2-(3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 54100227
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-(2-methoxyethenyl)phenol
CID 175460679
3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol
CID 91046809
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
CID 101050457
3-ethenyl-4-[2-(3-hydroxyphenyl)ethenyl]phenol
CID 174056763
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
(E)-3-(3-hydroxyphenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359576

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol?
The IUPAC name of 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol (CID 155072350) is 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol.
What is the SMILES notation for 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol?
The canonical SMILES for 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol is COc1cc(O)c(O)cc1/C=C/c1cccc(O)c1.
What is the InChIKey of 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol?
The InChIKey is FQGVQWLUVXYBPS-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14O4/c1-19-15-9-14(18)13(17)8-11(15)6-5-10-3-2-4-12(16)7-10/h2-9,16-18H,1H3/b6-5+.
What are the key properties of 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol?
4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol has a molecular weight of 258.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol is sourced from PubChem (CID 155072350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).