4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol

C28H22O4 — CID 102321408

IUPAC4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc3c(c2)C(c2ccc(O)cc2)C(c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C28H22O4/c29-22-10-3-18(4-11-22)1-2-19-5-16-26-25(17-19)27(20-6-12-23(30)13-7-20)28(32-26)21-8-14-24(31)15-9-21/h1-17,27-31H/b2-1+
InChIKeyCGRCLHMQVSNERU-OWOJBTEDSA-N
MW422.48 g/mol
LogP6.24
Rot. Bonds4

About 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol

4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol (PubChem CID 102321408) has the molecular formula C28H22O4 and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol
PubChem CID102321408
Molecular FormulaC28H22O4
Molecular Weight422.48 g/mol
Exact Mass422.15
IUPAC Name4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc3c(c2)C(c2ccc(O)cc2)C(c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C28H22O4/c29-22-10-3-18(4-11-22)1-2-19-5-16-26-25(17-19)27(20-6-12-23(30)13-7-20)28(32-26)21-8-14-24(31)15-9-21/h1-17,27-31H/b2-1+
InChIKeyCGRCLHMQVSNERU-OWOJBTEDSA-N
XLogP6.24
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol
CID 163191148
5-[(2R,3R)-5-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 122470228
5-[(E)-2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-2-iodobenzene-1,3-diol
CID 166823003
5-[5-[2-[3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 162854235
5-[4-[(E)-2-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 122370780
4-chloro-5-[(E)-2-[3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol
CID 166823006
5-[(2R,3R)-4-[(2R,3R)-5-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 162915636
4-[(2S,3R)-3-(hydroxymethyl)-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162896019
3-(2,3-diphenyl-2,3-dihydro-1-benzofuran-6-yl)-5-[(E)-2-(2,3-diphenyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]-2-phenyl-2,3-dihydro-1-benzofuran
CID 166866751
5-[(2S,3S,5R,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
CID 101017690
3-[(2S,3R)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
CID 163032580
(E)-4-[(2R,3R)-3-acetyl-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]but-3-en-2-one
CID 102581346

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol (CID 102321408) is 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol is Oc1ccc(/C=C/c2ccc3c(c2)C(c2ccc(O)cc2)C(c2ccc(O)cc2)O3)cc1.
What is the InChIKey of 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol?
The InChIKey is CGRCLHMQVSNERU-OWOJBTEDSA-N. The full InChI is InChI=1S/C28H22O4/c29-22-10-3-18(4-11-22)1-2-19-5-16-26-25(17-19)27(20-6-12-23(30)13-7-20)28(32-26)21-8-14-24(31)15-9-21/h1-17,27-31H/b2-1+.
What are the key properties of 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol?
4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol has a molecular weight of 422.48 g/mol, XLogP of 6.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol is sourced from PubChem (CID 102321408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).