ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene

C30H30O2 — CID 70616201

IUPACethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
SMILESOCCO.c1ccc(C/C(=C(/Cc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24.C2H6O2/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;3-1-2-4/h1-20H,21-22H2;3-4H,1-2H2/b28-27+;
InChIKeyBUALMONVDFCSLG-RXQWRGDBSA-N
MW422.57 g/mol
LogP6.05
Rot. Bonds7

About ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene

ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene (PubChem CID 70616201) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene.

Molecular Properties

Compound Nameethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
PubChem CID70616201
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Nameethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
SMILESOCCO.c1ccc(C/C(=C(/Cc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24.C2H6O2/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;3-1-2-4/h1-20H,21-22H2;3-4H,1-2H2/b28-27+;
InChIKeyBUALMONVDFCSLG-RXQWRGDBSA-N
XLogP6.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.05
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

[(E)-3-methyl-1-phenylpent-2-en-2-yl]benzene
CID 6432959
ethane-1,2-diol;phenylmethanol
CID 69228462
2-(1,2-diphenylethylideneamino)ethanol
CID 123788459
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
5-methyl-1,4-diphenylhex-4-en-2-one
CID 102590808
3-benzylbut-3-en-1-ol
CID 22764430
1,2-diphenylethanone;diphenylmethanone
CID 141067729
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
1,3-diphenylpropan-2-ylidenezirconium(2+)
CID 22171883
1,3-diphenyl(213C)propan-2-one
CID 100945080
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene?
The IUPAC name of ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene (CID 70616201) is ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene.
What is the SMILES notation for ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene?
The canonical SMILES for ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene is OCCO.c1ccc(C/C(=C(/Cc2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene?
The InChIKey is BUALMONVDFCSLG-RXQWRGDBSA-N. The full InChI is InChI=1S/C28H24.C2H6O2/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;3-1-2-4/h1-20H,21-22H2;3-4H,1-2H2/b28-27+;.
What are the key properties of ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene?
ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene has a molecular weight of 422.57 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene is sourced from PubChem (CID 70616201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).