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

C14H13NO3 — CID 137317837

IUPAC4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
SMILESC/C(=N\c1ccc(O)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO3/c1-9(10-2-7-13(17)14(18)8-10)15-11-3-5-12(16)6-4-11/h2-8,16-18H,1H3/b15-9+
InChIKeyZBXALFZJDWWXCM-OQLLNIDSSA-N
MW243.26 g/mol
LogP2.94
Rot. Bonds2

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

4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol (PubChem CID 137317837) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
PubChem CID137317837
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
SMILESC/C(=N\c1ccc(O)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO3/c1-9(10-2-7-13(17)14(18)8-10)15-11-3-5-12(16)6-4-11/h2-8,16-18H,1H3/b15-9+
InChIKeyZBXALFZJDWWXCM-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227
2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
CID 135475507
CID 54579209
CID 54579209
4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
CID 137214322
2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol
CID 155039384
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 135490404
4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 20539885
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
CID 19931686
1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane
CID 161266532
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 158021685

Frequently Asked Questions

What is the IUPAC name of 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol?
The IUPAC name of 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol (CID 137317837) is 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol.
What is the SMILES notation for 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol?
The canonical SMILES for 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol is C/C(=N\c1ccc(O)cc1)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol?
The InChIKey is ZBXALFZJDWWXCM-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9(10-2-7-13(17)14(18)8-10)15-11-3-5-12(16)6-4-11/h2-8,16-18H,1H3/b15-9+.
What are the key properties of 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol?
4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-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 4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol is sourced from PubChem (CID 137317837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).