4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol

C24H20O2 — CID 23514239

IUPAC4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2ccccc2)=CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O2/c25-24(26)17-16-20(19-10-4-1-5-11-19)18-23(24,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18,25-26H
InChIKeyHXIKVZLAPRAFGF-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.31
Rot. Bonds3

About 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol

4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol (PubChem CID 23514239) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol
PubChem CID23514239
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2ccccc2)=CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O2/c25-24(26)17-16-20(19-10-4-1-5-11-19)18-23(24,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18,25-26H
InChIKeyHXIKVZLAPRAFGF-UHFFFAOYSA-N
XLogP4.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol (CID 23514239) is 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol is OC1(O)C=CC(c2ccccc2)=CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol?
The InChIKey is HXIKVZLAPRAFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c25-24(26)17-16-20(19-10-4-1-5-11-19)18-23(24,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18,25-26H.
What are the key properties of 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol?
4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol has a molecular weight of 340.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 23514239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).