3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol

C28H24O2 — CID 71093796

IUPAC3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol
SMILESCc1ccc(/C(=C(/c2ccc(C)cc2)c2cccc(O)c2)c2cccc(O)c2)cc1
InChIInChI=1S/C28H24O2/c1-19-9-13-21(14-10-19)27(23-5-3-7-25(29)17-23)28(22-15-11-20(2)12-16-22)24-6-4-8-26(30)18-24/h3-18,29-30H,1-2H3/b28-27+
InChIKeyTVINAEIWURDWIK-BYYHNAKLSA-N
MW392.50 g/mol
LogP6.72
Rot. Bonds4

About 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol

3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol (PubChem CID 71093796) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol
PubChem CID71093796
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol
SMILESCc1ccc(/C(=C(/c2ccc(C)cc2)c2cccc(O)c2)c2cccc(O)c2)cc1
InChIInChI=1S/C28H24O2/c1-19-9-13-21(14-10-19)27(23-5-3-7-25(29)17-23)28(22-15-11-20(2)12-16-22)24-6-4-8-26(30)18-24/h3-18,29-30H,1-2H3/b28-27+
InChIKeyTVINAEIWURDWIK-BYYHNAKLSA-N
XLogP6.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylbenzoic acid;3-methylphenol
CID 159152247
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
CID 23766294
3-methylphenol
CID 67925627
benzene-1,3-diol;3-methylbenzoic acid
CID 174723405
3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride
CID 70255161
2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone
CID 67836332
sodium 3-methylphenol
CID 21278687
3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol
CID 15411191
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol (CID 71093796) is 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol is Cc1ccc(/C(=C(/c2ccc(C)cc2)c2cccc(O)c2)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol?
The InChIKey is TVINAEIWURDWIK-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H24O2/c1-19-9-13-21(14-10-19)27(23-5-3-7-25(29)17-23)28(22-15-11-20(2)12-16-22)24-6-4-8-26(30)18-24/h3-18,29-30H,1-2H3/b28-27+.
What are the key properties of 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol?
3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol has a molecular weight of 392.50 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol is sourced from PubChem (CID 71093796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).