3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol

C31H28O3 — CID 130411171

IUPAC3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol
SMILESCc1ccc(/C=C/c2cc(C)cc(COc3cc(O)cc(/C=C/c4ccc(O)cc4)c3)c2)cc1
InChIInChI=1S/C31H28O3/c1-22-3-5-24(6-4-22)7-9-26-15-23(2)16-28(17-26)21-34-31-19-27(18-30(33)20-31)10-8-25-11-13-29(32)14-12-25/h3-20,32-33H,21H2,1-2H3/b9-7+,10-8+
InChIKeyBUNLYUXZBQBGHD-FIFLTTCUSA-N
MW448.56 g/mol
LogP7.63
Rot. Bonds7

About 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol (PubChem CID 130411171) has the molecular formula C31H28O3 and a molecular weight of 448.56 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol
PubChem CID130411171
Molecular FormulaC31H28O3
Molecular Weight448.56 g/mol
Exact Mass448.20
IUPAC Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol
SMILESCc1ccc(/C=C/c2cc(C)cc(COc3cc(O)cc(/C=C/c4ccc(O)cc4)c3)c2)cc1
InChIInChI=1S/C31H28O3/c1-22-3-5-24(6-4-22)7-9-26-15-23(2)16-28(17-26)21-34-31-19-27(18-30(33)20-31)10-8-25-11-13-29(32)14-12-25/h3-20,32-33H,21H2,1-2H3/b9-7+,10-8+
InChIKeyBUNLYUXZBQBGHD-FIFLTTCUSA-N
XLogP7.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
CID 58912218
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
CID 142671127
O-silyl resveratrol
CID 171364243
[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine
CID 166716573
(E)-3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 61029647
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
CID 144918045

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol?
The IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol (CID 130411171) is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol.
What is the SMILES notation for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol?
The canonical SMILES for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol is Cc1ccc(/C=C/c2cc(C)cc(COc3cc(O)cc(/C=C/c4ccc(O)cc4)c3)c2)cc1.
What is the InChIKey of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol?
The InChIKey is BUNLYUXZBQBGHD-FIFLTTCUSA-N. The full InChI is InChI=1S/C31H28O3/c1-22-3-5-24(6-4-22)7-9-26-15-23(2)16-28(17-26)21-34-31-19-27(18-30(33)20-31)10-8-25-11-13-29(32)14-12-25/h3-20,32-33H,21H2,1-2H3/b9-7+,10-8+.
What are the key properties of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol?
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol has a molecular weight of 448.56 g/mol, XLogP of 7.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol is sourced from PubChem (CID 130411171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).