2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol

C32H40N2O2 — CID 137130350

IUPAC2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol
SMILESCCCc1cc(/C=N/c2ccc(/N=C/c3cc(CCC)cc(CCC)c3O)cc2)c(O)c(CCC)c1
InChIInChI=1S/C32H40N2O2/c1-5-9-23-17-25(11-7-3)31(35)27(19-23)21-33-29-13-15-30(16-14-29)34-22-28-20-24(10-6-2)18-26(12-8-4)32(28)36/h13-22,35-36H,5-12H2,1-4H3/b33-21+,34-22+
InChIKeyNIXPJIGJHRMTPV-WXGDAXOSSA-N
MW484.68 g/mol
LogP8.41
Rot. Bonds12

About 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol

2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol (PubChem CID 137130350) has the molecular formula C32H40N2O2 and a molecular weight of 484.68 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol.

Molecular Properties

Compound Name2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol
PubChem CID137130350
Molecular FormulaC32H40N2O2
Molecular Weight484.68 g/mol
Exact Mass484.31
IUPAC Name2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol
SMILESCCCc1cc(/C=N/c2ccc(/N=C/c3cc(CCC)cc(CCC)c3O)cc2)c(O)c(CCC)c1
InChIInChI=1S/C32H40N2O2/c1-5-9-23-17-25(11-7-3)31(35)27(19-23)21-33-29-13-15-30(16-14-29)34-22-28-20-24(10-6-2)18-26(12-8-4)32(28)36/h13-22,35-36H,5-12H2,1-4H3/b33-21+,34-22+
InChIKeyNIXPJIGJHRMTPV-WXGDAXOSSA-N
XLogP8.41
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
CID 137143929
2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol
CID 137047481
4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-ylphenol;cobalt(2+);diacetate
CID 173034017
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
CID 137156216
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
4-ethyl-2,6-dipropylphenol
CID 66879596
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
CID 160753336
cobalt(2+);2,4-dibutyl-6-[3-[(3,5-dibutyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;diacetate
CID 162242811
2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol
CID 137154888
2-tert-butyl-6-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949
2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol
CID 137037636

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol?
The IUPAC name of 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol (CID 137130350) is 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol.
What is the SMILES notation for 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol?
The canonical SMILES for 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol is CCCc1cc(/C=N/c2ccc(/N=C/c3cc(CCC)cc(CCC)c3O)cc2)c(O)c(CCC)c1.
What is the InChIKey of 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol?
The InChIKey is NIXPJIGJHRMTPV-WXGDAXOSSA-N. The full InChI is InChI=1S/C32H40N2O2/c1-5-9-23-17-25(11-7-3)31(35)27(19-23)21-33-29-13-15-30(16-14-29)34-22-28-20-24(10-6-2)18-26(12-8-4)32(28)36/h13-22,35-36H,5-12H2,1-4H3/b33-21+,34-22+.
What are the key properties of 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol?
2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol has a molecular weight of 484.68 g/mol, XLogP of 8.41, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol is sourced from PubChem (CID 137130350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).