4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol

C16H16N2O2 — CID 135490404

IUPAC4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/N=C(/C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-11(13-3-7-15(19)8-4-13)17-18-12(2)14-5-9-16(20)10-6-14/h3-10,19-20H,1-2H3/b17-11-,18-12-
InChIKeyOWVZTWGQGKTLMY-WHYMJUELSA-N
MW268.32 g/mol
LogP3.33
Rot. Bonds3

About 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol

4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol (PubChem CID 135490404) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
PubChem CID135490404
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/N=C(/C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-11(13-3-7-15(19)8-4-13)17-18-12(2)14-5-9-16(20)10-6-14/h3-10,19-20H,1-2H3/b17-11-,18-12-
InChIKeyOWVZTWGQGKTLMY-WHYMJUELSA-N
XLogP3.33
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
CID 135534479
4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
(E)-1-(3,4-dimethylphenyl)-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]ethanimine
CID 177451441
4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol
CID 154774222
4-[(E)-C-methyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbonimidoyl]phenol
CID 135842085
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
CID 135796063
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
2-[(E)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136980380
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol (CID 135490404) is 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol is C/C(=N/N=C(/C)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
The InChIKey is OWVZTWGQGKTLMY-WHYMJUELSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(13-3-7-15(19)8-4-13)17-18-12(2)14-5-9-16(20)10-6-14/h3-10,19-20H,1-2H3/b17-11-,18-12-.
What are the key properties of 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol has a molecular weight of 268.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135490404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).