2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol

C22H26N2O2 — CID 135401438

IUPAC2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\[C@@H]1CCCC[C@H]1/N=C(\C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H26N2O2/c1-15(17-9-3-7-13-21(17)25)23-19-11-5-6-12-20(19)24-16(2)18-10-4-8-14-22(18)26/h3-4,7-10,13-14,19-20,25-26H,5-6,11-12H2,1-2H3/b23-15+,24-16+/t19-,20-/m1/s1
InChIKeyGRCXJNOPXSFZOU-XADFGDBWSA-N
MW350.46 g/mol
LogP4.73
Rot. Bonds4

About 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol

2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol (PubChem CID 135401438) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol
PubChem CID135401438
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\[C@@H]1CCCC[C@H]1/N=C(\C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H26N2O2/c1-15(17-9-3-7-13-21(17)25)23-19-11-5-6-12-20(19)24-16(2)18-10-4-8-14-22(18)26/h3-4,7-10,13-14,19-20,25-26H,5-6,11-12H2,1-2H3/b23-15+,24-16+/t19-,20-/m1/s1
InChIKeyGRCXJNOPXSFZOU-XADFGDBWSA-N
XLogP4.73
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol (CID 135401438) is 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol is C/C(=N\[C@@H]1CCCC[C@H]1/N=C(\C)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol?
The InChIKey is GRCXJNOPXSFZOU-XADFGDBWSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(17-9-3-7-13-21(17)25)23-19-11-5-6-12-20(19)24-16(2)18-10-4-8-14-22(18)26/h3-4,7-10,13-14,19-20,25-26H,5-6,11-12H2,1-2H3/b23-15+,24-16+/t19-,20-/m1/s1.
What are the key properties of 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol?
2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol has a molecular weight of 350.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(1R,2R)-2-[1-(2-hydroxyphenyl)ethylideneamino]cyclohexyl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135401438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).