2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol

C23H20O — CID 6071425

IUPAC2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C23H20O/c1-18-16-21(13-12-19-8-4-2-5-9-19)17-22(23(18)24)15-14-20-10-6-3-7-11-20/h2-17,24H,1H3/b13-12+,15-14+
InChIKeyWYBHTQRLNGXEGI-SQIWNDBBSA-N
MW312.41 g/mol
LogP6.04
Rot. Bonds4

About 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol

2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol (PubChem CID 6071425) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol.

Molecular Properties

Compound Name2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
PubChem CID6071425
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C23H20O/c1-18-16-21(13-12-19-8-4-2-5-9-19)17-22(23(18)24)15-14-20-10-6-3-7-11-20/h2-17,24H,1H3/b13-12+,15-14+
InChIKeyWYBHTQRLNGXEGI-SQIWNDBBSA-N
XLogP6.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(E)-2-phenylethenyl]phenol
CID 22713146
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
6-methyl-2,3-bis(2-phenylethenyl)phenol
CID 54059537
2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
CID 166844983
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
CID 68629496
2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol
CID 14771913
4-nonyl-2,6-bis(2-phenylethenyl)phenol
CID 54556617
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
CID 59639128
4-methyl-2-(2-phenylethenyl)benzene-1,3-diol
CID 135318520
benzoic acid;1,3-dimethyl-5-(2-phenylethenyl)benzene
CID 174874153
2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
CID 67275352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol?
The IUPAC name of 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol (CID 6071425) is 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol.
What is the SMILES notation for 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol?
The canonical SMILES for 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol is Cc1cc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)c1O.
What is the InChIKey of 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol?
The InChIKey is WYBHTQRLNGXEGI-SQIWNDBBSA-N. The full InChI is InChI=1S/C23H20O/c1-18-16-21(13-12-19-8-4-2-5-9-19)17-22(23(18)24)15-14-20-10-6-3-7-11-20/h2-17,24H,1H3/b13-12+,15-14+.
What are the key properties of 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol?
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol has a molecular weight of 312.41 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol is sourced from PubChem (CID 6071425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).