2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol

C34H28O4 — CID 163458586

IUPAC2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESC/C=C/c1ccc(C(c2cc(-c3ccc(O)cc3)ccc2O)c2cc(-c3ccc(O)cc3)ccc2O)cc1
InChIInChI=1S/C34H28O4/c1-2-3-22-4-6-25(7-5-22)34(30-20-26(12-18-32(30)37)23-8-14-28(35)15-9-23)31-21-27(13-19-33(31)38)24-10-16-29(36)17-11-24/h2-21,34-38H,1H3/b3-2+
InChIKeyBMQGVXQBHMPKFZ-NSCUHMNNSA-N
MW500.59 g/mol
LogP8.06
Rot. Bonds6

About 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol

2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol (PubChem CID 163458586) has the molecular formula C34H28O4 and a molecular weight of 500.59 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol
PubChem CID163458586
Molecular FormulaC34H28O4
Molecular Weight500.59 g/mol
Exact Mass500.20
IUPAC Name2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESC/C=C/c1ccc(C(c2cc(-c3ccc(O)cc3)ccc2O)c2cc(-c3ccc(O)cc3)ccc2O)cc1
InChIInChI=1S/C34H28O4/c1-2-3-22-4-6-25(7-5-22)34(30-20-26(12-18-32(30)37)23-8-14-28(35)15-9-23)31-21-27(13-19-33(31)38)24-10-16-29(36)17-11-24/h2-21,34-38H,1H3/b3-2+
InChIKeyBMQGVXQBHMPKFZ-NSCUHMNNSA-N
XLogP8.06
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 58.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 126693552
2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
CID 165040485
2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol
CID 135484062
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 154613065
2-[(3E,5Z)-1-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]-4-(4-hydroxyphenyl)octa-3,5-dien-7-ynyl]-4-(4-hydroxyphenyl)phenol
CID 167172806
2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol
CID 142209751
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(5-iodofuran-2-yl)methyl]-4-(4-hydroxyphenyl)phenol
CID 126698405
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol
CID 126693566
2-[(2,4-dimethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(2,4-dimethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol;2-[(4-ethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(4-ethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol
CID 157445165
4-(4-prop-1-enylphenyl)sulfonylphenol
CID 67220481

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol (CID 163458586) is 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol is C/C=C/c1ccc(C(c2cc(-c3ccc(O)cc3)ccc2O)c2cc(-c3ccc(O)cc3)ccc2O)cc1.
What is the InChIKey of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The InChIKey is BMQGVXQBHMPKFZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C34H28O4/c1-2-3-22-4-6-25(7-5-22)34(30-20-26(12-18-32(30)37)23-8-14-28(35)15-9-23)31-21-27(13-19-33(31)38)24-10-16-29(36)17-11-24/h2-21,34-38H,1H3/b3-2+.
What are the key properties of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol has a molecular weight of 500.59 g/mol, XLogP of 8.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 163458586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).