2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

C20H22N2O2 — CID 3002876

IUPAC2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/[C@H]1CCCC[C@H]1/N=C/c1ccccc1O
InChIInChI=1S/C20H22N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2/b21-13+,22-14+/t17-,18+
InChIKeyWCSLPBBQHFXWBW-UKSRJRLHSA-N
MW322.41 g/mol
LogP3.95
Rot. Bonds4

About 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (PubChem CID 3002876) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
PubChem CID3002876
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/[C@H]1CCCC[C@H]1/N=C/c1ccccc1O
InChIInChI=1S/C20H22N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2/b21-13+,22-14+/t17-,18+
InChIKeyWCSLPBBQHFXWBW-UKSRJRLHSA-N
XLogP3.95
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.95
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-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (CID 3002876) is 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is Oc1ccccc1/C=N/[C@H]1CCCC[C@H]1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The InChIKey is WCSLPBBQHFXWBW-UKSRJRLHSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2/b21-13+,22-14+/t17-,18+.
What are the key properties of 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol has a molecular weight of 322.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is sourced from PubChem (CID 3002876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).