2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol

C27H20Cl2N2O2 — CID 4069698

IUPAC2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol
SMILESOc1ccc(Cc2ccc(O)c(/C=N/c3ccc(Cl)cc3)c2)cc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C27H20Cl2N2O2/c28-22-3-7-24(8-4-22)30-16-20-14-18(1-11-26(20)32)13-19-2-12-27(33)21(15-19)17-31-25-9-5-23(29)6-10-25/h1-12,14-17,32-33H,13H2/b30-16+,31-17+
InChIKeyJXBMYSJQBQETSK-RVSCTIAXSA-N
MW475.38 g/mol
LogP7.50
Rot. Bonds6

About 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol

2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol (PubChem CID 4069698) has the molecular formula C27H20Cl2N2O2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol
PubChem CID4069698
Molecular FormulaC27H20Cl2N2O2
Molecular Weight475.38 g/mol
Exact Mass474.09
IUPAC Name2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol
SMILESOc1ccc(Cc2ccc(O)c(/C=N/c3ccc(Cl)cc3)c2)cc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C27H20Cl2N2O2/c28-22-3-7-24(8-4-22)30-16-20-14-18(1-11-26(20)32)13-19-2-12-27(33)21(15-19)17-31-25-9-5-23(29)6-10-25/h1-12,14-17,32-33H,13H2/b30-16+,31-17+
InChIKeyJXBMYSJQBQETSK-RVSCTIAXSA-N
XLogP7.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 57.50
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-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol?
The IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol (CID 4069698) is 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol.
What is the SMILES notation for 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol?
The canonical SMILES for 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol is Oc1ccc(Cc2ccc(O)c(/C=N/c3ccc(Cl)cc3)c2)cc1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol?
The InChIKey is JXBMYSJQBQETSK-RVSCTIAXSA-N. The full InChI is InChI=1S/C27H20Cl2N2O2/c28-22-3-7-24(8-4-22)30-16-20-14-18(1-11-26(20)32)13-19-2-12-27(33)21(15-19)17-31-25-9-5-23(29)6-10-25/h1-12,14-17,32-33H,13H2/b30-16+,31-17+.
What are the key properties of 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol?
2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol has a molecular weight of 475.38 g/mol, XLogP of 7.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)iminomethyl]-4-[[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]methyl]phenol is sourced from PubChem (CID 4069698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).