4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol

C12H13NO2 — CID 70615537

IUPAC4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol
SMILESNC1(O)C=CC(O)=C(c2ccccc2)C1
InChIInChI=1S/C12H13NO2/c13-12(15)7-6-11(14)10(8-12)9-4-2-1-3-5-9/h1-7,14-15H,8,13H2
InChIKeyZDXCUOZNBYWYAI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.56
Rot. Bonds1

About 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol

4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol (PubChem CID 70615537) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol
PubChem CID70615537
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol
SMILESNC1(O)C=CC(O)=C(c2ccccc2)C1
InChIInChI=1S/C12H13NO2/c13-12(15)7-6-11(14)10(8-12)9-4-2-1-3-5-9/h1-7,14-15H,8,13H2
InChIKeyZDXCUOZNBYWYAI-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.56
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 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol (CID 70615537) is 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol is NC1(O)C=CC(O)=C(c2ccccc2)C1.
What is the InChIKey of 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is ZDXCUOZNBYWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-12(15)7-6-11(14)10(8-12)9-4-2-1-3-5-9/h1-7,14-15H,8,13H2.
What are the key properties of 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol?
4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 203.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 70615537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).