2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol

C31H28N2O2 — CID 137159907

IUPAC2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1/C=N/C1CCC(/N=C/c2cc(-c3ccccc3)ccc2O)C1
InChIInChI=1S/C31H28N2O2/c34-30-15-11-24(22-7-3-1-4-8-22)17-26(30)20-32-28-13-14-29(19-28)33-21-27-18-25(12-16-31(27)35)23-9-5-2-6-10-23/h1-12,15-18,20-21,28-29,34-35H,13-14,19H2/b32-20+,33-21+
InChIKeyFFTDDZSUUHGPGD-YMQWWVFYSA-N
MW460.58 g/mol
LogP6.89
Rot. Bonds6

About 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol

2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol (PubChem CID 137159907) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol
PubChem CID137159907
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC Name2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1/C=N/C1CCC(/N=C/c2cc(-c3ccccc3)ccc2O)C1
InChIInChI=1S/C31H28N2O2/c34-30-15-11-24(22-7-3-1-4-8-22)17-26(30)20-32-28-13-14-29(19-28)33-21-27-18-25(12-16-31(27)35)23-9-5-2-6-10-23/h1-12,15-18,20-21,28-29,34-35H,13-14,19H2/b32-20+,33-21+
InChIKeyFFTDDZSUUHGPGD-YMQWWVFYSA-N
XLogP6.89
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropyliminomethyl)phenol
CID 5242286
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol
CID 135595528
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
CID 135595403
4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate
CID 173034000
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-nitrophenol
CID 135595401
2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-bromophenol
CID 135598301
2-[[(3R)-1-benzylpyrrolidin-3-yl]iminomethyl]-4-chlorophenol
CID 135598272
2-[(1,1-dioxothiolan-3-yl)iminomethyl]phenol
CID 5150731
2-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 2407869
2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol
CID 137124781

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol (CID 137159907) is 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1/C=N/C1CCC(/N=C/c2cc(-c3ccccc3)ccc2O)C1.
What is the InChIKey of 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol?
The InChIKey is FFTDDZSUUHGPGD-YMQWWVFYSA-N. The full InChI is InChI=1S/C31H28N2O2/c34-30-15-11-24(22-7-3-1-4-8-22)17-26(30)20-32-28-13-14-29(19-28)33-21-27-18-25(12-16-31(27)35)23-9-5-2-6-10-23/h1-12,15-18,20-21,28-29,34-35H,13-14,19H2/b32-20+,33-21+.
What are the key properties of 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol?
2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol has a molecular weight of 460.58 g/mol, XLogP of 6.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol is sourced from PubChem (CID 137159907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).