4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol

C32H26O2 — CID 141259111

IUPAC4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(C(=Cc3ccccc3)C3(O)C=CC(c4ccccc4)=CC3)cc2)cc1
InChIInChI=1S/C32H26O2/c33-30-17-15-27(16-18-30)26-11-13-29(14-12-26)31(23-24-7-3-1-4-8-24)32(34)21-19-28(20-22-32)25-9-5-2-6-10-25/h1-21,23,33-34H,22H2
InChIKeyHGOLGJYETLMVAD-UHFFFAOYSA-N
MW442.56 g/mol
LogP7.37
Rot. Bonds5

About 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol

4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol (PubChem CID 141259111) has the molecular formula C32H26O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol
PubChem CID141259111
Molecular FormulaC32H26O2
Molecular Weight442.56 g/mol
Exact Mass442.19
IUPAC Name4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(C(=Cc3ccccc3)C3(O)C=CC(c4ccccc4)=CC3)cc2)cc1
InChIInChI=1S/C32H26O2/c33-30-17-15-27(16-18-30)26-11-13-29(14-12-26)31(23-24-7-3-1-4-8-24)32(34)21-19-28(20-22-32)25-9-5-2-6-10-25/h1-21,23,33-34H,22H2
InChIKeyHGOLGJYETLMVAD-UHFFFAOYSA-N
XLogP7.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol?
The IUPAC name of 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol (CID 141259111) is 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol?
The canonical SMILES for 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol is Oc1ccc(-c2ccc(C(=Cc3ccccc3)C3(O)C=CC(c4ccccc4)=CC3)cc2)cc1.
What is the InChIKey of 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol?
The InChIKey is HGOLGJYETLMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O2/c33-30-17-15-27(16-18-30)26-11-13-29(14-12-26)31(23-24-7-3-1-4-8-24)32(34)21-19-28(20-22-32)25-9-5-2-6-10-25/h1-21,23,33-34H,22H2.
What are the key properties of 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol?
4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol has a molecular weight of 442.56 g/mol, XLogP of 7.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(1-hydroxy-4-phenylcyclohexa-2,4-dien-1-yl)-2-phenylethenyl]phenyl]phenol is sourced from PubChem (CID 141259111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).