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

C33H26N2O3 — CID 137076335

IUPAC2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
SMILESCOc1ccc(/N=C/c2cc(-c3ccccc3)ccc2O)c(/N=C/c2cc(-c3ccccc3)ccc2O)c1
InChIInChI=1S/C33H26N2O3/c1-38-29-14-15-30(34-21-27-18-25(12-16-32(27)36)23-8-4-2-5-9-23)31(20-29)35-22-28-19-26(13-17-33(28)37)24-10-6-3-7-11-24/h2-22,36-37H,1H3/b34-21+,35-22+
InChIKeyYCPVFFZOWXTQJB-TWOPAUOSSA-N
MW498.58 g/mol
LogP7.94
Rot. Bonds7

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

2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol (PubChem CID 137076335) has the molecular formula C33H26N2O3 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
PubChem CID137076335
Molecular FormulaC33H26N2O3
Molecular Weight498.58 g/mol
Exact Mass498.19
IUPAC Name2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
SMILESCOc1ccc(/N=C/c2cc(-c3ccccc3)ccc2O)c(/N=C/c2cc(-c3ccccc3)ccc2O)c1
InChIInChI=1S/C33H26N2O3/c1-38-29-14-15-30(34-21-27-18-25(12-16-32(27)36)23-8-4-2-5-9-23)31(20-29)35-22-28-19-26(13-17-33(28)37)24-10-6-3-7-11-24/h2-22,36-37H,1H3/b34-21+,35-22+
InChIKeyYCPVFFZOWXTQJB-TWOPAUOSSA-N
XLogP7.94
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol
CID 137159907
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol
CID 137225743

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol?
The IUPAC name of 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol (CID 137076335) is 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol.
What is the SMILES notation for 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol?
The canonical SMILES for 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol is COc1ccc(/N=C/c2cc(-c3ccccc3)ccc2O)c(/N=C/c2cc(-c3ccccc3)ccc2O)c1.
What is the InChIKey of 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol?
The InChIKey is YCPVFFZOWXTQJB-TWOPAUOSSA-N. The full InChI is InChI=1S/C33H26N2O3/c1-38-29-14-15-30(34-21-27-18-25(12-16-32(27)36)23-8-4-2-5-9-23)31(20-29)35-22-28-19-26(13-17-33(28)37)24-10-6-3-7-11-24/h2-22,36-37H,1H3/b34-21+,35-22+.
What are the key properties of 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol?
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol has a molecular weight of 498.58 g/mol, XLogP of 7.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol is sourced from PubChem (CID 137076335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).