6-phenylcyclohexa-3,5-diene-1,1,2-triol

C12H12O3 — CID 45092919

IUPAC6-phenylcyclohexa-3,5-diene-1,1,2-triol
SMILESOC1C=CC=C(c2ccccc2)C1(O)O
InChIInChI=1S/C12H12O3/c13-11-8-4-7-10(12(11,14)15)9-5-2-1-3-6-9/h1-8,11,13-15H
InChIKeyTVFYLUZGPDKJSP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds1

About 6-phenylcyclohexa-3,5-diene-1,1,2-triol

6-phenylcyclohexa-3,5-diene-1,1,2-triol (PubChem CID 45092919) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-phenylcyclohexa-3,5-diene-1,1,2-triol.

Molecular Properties

Compound Name6-phenylcyclohexa-3,5-diene-1,1,2-triol
PubChem CID45092919
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name6-phenylcyclohexa-3,5-diene-1,1,2-triol
SMILESOC1C=CC=C(c2ccccc2)C1(O)O
InChIInChI=1S/C12H12O3/c13-11-8-4-7-10(12(11,14)15)9-5-2-1-3-6-9/h1-8,11,13-15H
InChIKeyTVFYLUZGPDKJSP-UHFFFAOYSA-N
XLogP0.68
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-phenylcyclohexa-3,5-diene-1,1,2-triol?
The IUPAC name of 6-phenylcyclohexa-3,5-diene-1,1,2-triol (CID 45092919) is 6-phenylcyclohexa-3,5-diene-1,1,2-triol.
What is the SMILES notation for 6-phenylcyclohexa-3,5-diene-1,1,2-triol?
The canonical SMILES for 6-phenylcyclohexa-3,5-diene-1,1,2-triol is OC1C=CC=C(c2ccccc2)C1(O)O.
What is the InChIKey of 6-phenylcyclohexa-3,5-diene-1,1,2-triol?
The InChIKey is TVFYLUZGPDKJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-8-4-7-10(12(11,14)15)9-5-2-1-3-6-9/h1-8,11,13-15H.
What are the key properties of 6-phenylcyclohexa-3,5-diene-1,1,2-triol?
6-phenylcyclohexa-3,5-diene-1,1,2-triol has a molecular weight of 204.23 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylcyclohexa-3,5-diene-1,1,2-triol is sourced from PubChem (CID 45092919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).