4-(benzenecarboximidoyl)benzene-1,3-diol

C13H11NO2 — CID 136623045

IUPAC4-(benzenecarboximidoyl)benzene-1,3-diol
SMILES[H]/N=C(\c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C13H11NO2/c14-13(9-4-2-1-3-5-9)11-7-6-10(15)8-12(11)16/h1-8,14-16H/b14-13+
InChIKeyZYJLGKDQCMFFNC-BUHFOSPRSA-N
MW213.24 g/mol
LogP2.51
Rot. Bonds2

About 4-(benzenecarboximidoyl)benzene-1,3-diol

4-(benzenecarboximidoyl)benzene-1,3-diol (PubChem CID 136623045) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(benzenecarboximidoyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(benzenecarboximidoyl)benzene-1,3-diol
PubChem CID136623045
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-(benzenecarboximidoyl)benzene-1,3-diol
SMILES[H]/N=C(\c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C13H11NO2/c14-13(9-4-2-1-3-5-9)11-7-6-10(15)8-12(11)16/h1-8,14-16H/b14-13+
InChIKeyZYJLGKDQCMFFNC-BUHFOSPRSA-N
XLogP2.51
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-Phenylethyl)-1,3-benzenediol
CID 11171903
[1,1'-Biphenyl]-2,2',4,4'-tetrol
CID 20387
1,3-Benzenediol, 4-(phenylmethyl)-
CID 75294
4-[2-(2,4-Dihydroxyphenyl)ethyl]benzene-1,3-diol
CID 24849532
(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135399628
4-[2-(3,5-Dihydroxyphenyl)ethyl]benzene-1,3-diol
CID 16126762
4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol
CID 11447476
4-Phenylbenzene-1,3-diol
CID 11019578
4-((Cyclohexylimino)methyl)benzene-1,3-diol
CID 796887
4-(2-Phenylethyl)resorcinol
CID 15664656
4'-O-Demethylbroussonin A
CID 10900865
1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135400493

Frequently Asked Questions

What is the IUPAC name of 4-(benzenecarboximidoyl)benzene-1,3-diol?
The IUPAC name of 4-(benzenecarboximidoyl)benzene-1,3-diol (CID 136623045) is 4-(benzenecarboximidoyl)benzene-1,3-diol.
What is the SMILES notation for 4-(benzenecarboximidoyl)benzene-1,3-diol?
The canonical SMILES for 4-(benzenecarboximidoyl)benzene-1,3-diol is [H]/N=C(\c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 4-(benzenecarboximidoyl)benzene-1,3-diol?
The InChIKey is ZYJLGKDQCMFFNC-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H11NO2/c14-13(9-4-2-1-3-5-9)11-7-6-10(15)8-12(11)16/h1-8,14-16H/b14-13+.
What are the key properties of 4-(benzenecarboximidoyl)benzene-1,3-diol?
4-(benzenecarboximidoyl)benzene-1,3-diol has a molecular weight of 213.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenecarboximidoyl)benzene-1,3-diol is sourced from PubChem (CID 136623045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).