4-phenylcyclohexa-1,5-diene-1,4-diol

C12H12O2 — CID 22065259

IUPAC4-phenylcyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(c2ccccc2)C=C1
InChIInChI=1S/C12H12O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-8,13-14H,9H2
InChIKeyUVEUVUQAVQTZTB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.28
Rot. Bonds1

About 4-phenylcyclohexa-1,5-diene-1,4-diol

4-phenylcyclohexa-1,5-diene-1,4-diol (PubChem CID 22065259) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-phenylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-phenylcyclohexa-1,5-diene-1,4-diol
PubChem CID22065259
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-phenylcyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(c2ccccc2)C=C1
InChIInChI=1S/C12H12O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-8,13-14H,9H2
InChIKeyUVEUVUQAVQTZTB-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-phenylcyclohexa-1,5-diene-1,4-diol (CID 22065259) is 4-phenylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-phenylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-phenylcyclohexa-1,5-diene-1,4-diol is OC1=CCC(O)(c2ccccc2)C=C1.
What is the InChIKey of 4-phenylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is UVEUVUQAVQTZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-8,13-14H,9H2.
What are the key properties of 4-phenylcyclohexa-1,5-diene-1,4-diol?
4-phenylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 188.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 22065259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).