2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol

C14H13NO3 — CID 137120822

IUPAC2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol
SMILESC/C(=N\c1ccccc1O)c1cc(O)ccc1O
InChIInChI=1S/C14H13NO3/c1-9(11-8-10(16)6-7-13(11)17)15-12-4-2-3-5-14(12)18/h2-8,16-18H,1H3/b15-9+
InChIKeyBXOCQCOJPMTMHO-OQLLNIDSSA-N
MW243.26 g/mol
LogP2.94
Rot. Bonds2

About 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol

2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol (PubChem CID 137120822) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol
PubChem CID137120822
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol
SMILESC/C(=N\c1ccccc1O)c1cc(O)ccc1O
InChIInChI=1S/C14H13NO3/c1-9(11-8-10(16)6-7-13(11)17)15-12-4-2-3-5-14(12)18/h2-8,16-18H,1H3/b15-9+
InChIKeyBXOCQCOJPMTMHO-OQLLNIDSSA-N
XLogP2.94
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136980380
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
CID 136835617
2-(1-phenylethylideneamino)phenol
CID 12750817
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 136734563
4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135857168
2-[N-[2-[2-[2-[1-(2,5-dihydroxyphenyl)ethylideneamino]ethoxy]ethoxy]ethyl]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136862719
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide
CID 135907364
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide
CID 135647660
2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol
CID 136722434

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol?
The IUPAC name of 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol (CID 137120822) is 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol.
What is the SMILES notation for 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol?
The canonical SMILES for 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol is C/C(=N\c1ccccc1O)c1cc(O)ccc1O.
What is the InChIKey of 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol?
The InChIKey is BXOCQCOJPMTMHO-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9(11-8-10(16)6-7-13(11)17)15-12-4-2-3-5-14(12)18/h2-8,16-18H,1H3/b15-9+.
What are the key properties of 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol?
2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol has a molecular weight of 243.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol is sourced from PubChem (CID 137120822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).