2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol

C24H28O2 — CID 18546439

IUPAC2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol
SMILESCC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c(CC=C(C)C)c1O
InChIInChI=1S/C24H28O2/c1-17(2)10-14-21-20(13-12-19-8-6-5-7-9-19)16-23(25)22(24(21)26)15-11-18(3)4/h5-13,16,25-26H,14-15H2,1-4H3/b13-12+
InChIKeyWGNKBWUNUUKYBR-OUKQBFOZSA-N
MW348.49 g/mol
LogP6.29
Rot. Bonds6

About 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol

2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol (PubChem CID 18546439) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol
PubChem CID18546439
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol
SMILESCC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c(CC=C(C)C)c1O
InChIInChI=1S/C24H28O2/c1-17(2)10-14-21-20(13-12-19-8-6-5-7-9-19)16-23(25)22(24(21)26)15-11-18(3)4/h5-13,16,25-26H,14-15H2,1-4H3/b13-12+
InChIKeyWGNKBWUNUUKYBR-OUKQBFOZSA-N
XLogP6.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,4-bis(3-methylbut-2-enyl)benzene-1,3-diol;5-[2-(4-hydroxyphenyl)ethyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 159377748
(E)-3-phenyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 11992148
2,2-dimethyl-8-(3-methylbut-2-enyl)-5-(2-phenylethenyl)-3,4-dihydrochromene-3,7-diol
CID 162928511
1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene
CID 57413642
5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 5281724
4-[(E)-2-[3-hydroxy-2-(3-methylbut-2-enyl)-5-nitrosophenyl]ethenyl]benzene-1,2-diol
CID 136593307
calcium 4-methoxy-3-(3-methylbut-2-enyl)-2-oxido-6-[(E)-2-phenylethenyl]benzoate
CID 71509046
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
5-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
CID 132603681
2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol
CID 91460835
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
2-(3-methylbut-2-enyl)-5-[2-(3-nitrophenyl)ethenyl]benzene-1,3-diol
CID 91068687

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The IUPAC name of 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol (CID 18546439) is 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol.
What is the SMILES notation for 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The canonical SMILES for 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol is CC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c(CC=C(C)C)c1O.
What is the InChIKey of 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The InChIKey is WGNKBWUNUUKYBR-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H28O2/c1-17(2)10-14-21-20(13-12-19-8-6-5-7-9-19)16-23(25)22(24(21)26)15-11-18(3)4/h5-13,16,25-26H,14-15H2,1-4H3/b13-12+.
What are the key properties of 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol has a molecular weight of 348.49 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol is sourced from PubChem (CID 18546439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).