4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol

C12H14N2O — CID 174844200

IUPAC4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol
SMILESNC1(N)C=CC(O)=C(c2ccccc2)C1
InChIInChI=1S/C12H14N2O/c13-12(14)7-6-11(15)10(8-12)9-4-2-1-3-5-9/h1-7,15H,8,13-14H2
InChIKeyHFWIRCFUHHRJTB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.53
Rot. Bonds1

About 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol

4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol (PubChem CID 174844200) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol
PubChem CID174844200
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol
SMILESNC1(N)C=CC(O)=C(c2ccccc2)C1
InChIInChI=1S/C12H14N2O/c13-12(14)7-6-11(15)10(8-12)9-4-2-1-3-5-9/h1-7,15H,8,13-14H2
InChIKeyHFWIRCFUHHRJTB-UHFFFAOYSA-N
XLogP1.53
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.53
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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Related Compounds

4,4-dinitro-2-phenylcyclohexa-1,5-dien-1-ol
CID 88502403
2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
CID 174564600
(4,4-diamino-2-fluorocyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 174398976
1-(4,4-diamino-2-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-2-phenylethane-1,2-dione
CID 174642793
bis(1,1'-biphenyl);chromium(3+);triiodide
CID 163778022
benzene;tris(1,1'-biphenyl)
CID 162155747
1-methoxy-4-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 175187792
5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol
CID 170991368
benzene;1,1'-biphenyl;phenol
CID 159528072
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
5-phenyl-4-(2-phenylphenyl)cyclohexa-2,4-diene-1,1-diol
CID 175478558
1-cyano-4-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 175204128

Frequently Asked Questions

What is the IUPAC name of 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol (CID 174844200) is 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol is NC1(N)C=CC(O)=C(c2ccccc2)C1.
What is the InChIKey of 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol?
The InChIKey is HFWIRCFUHHRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12(14)7-6-11(15)10(8-12)9-4-2-1-3-5-9/h1-7,15H,8,13-14H2.
What are the key properties of 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol?
4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol has a molecular weight of 202.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 174844200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).