4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol

C30H36N2O2 — CID 137143929

IUPAC4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
SMILESCCCCc1cc(C)c(O)c(/C=N/c2ccc(/N=C/c3cc(CCCC)cc(C)c3O)cc2)c1
InChIInChI=1S/C30H36N2O2/c1-5-7-9-23-15-21(3)29(33)25(17-23)19-31-27-11-13-28(14-12-27)32-20-26-18-24(10-8-6-2)16-22(4)30(26)34/h11-20,33-34H,5-10H2,1-4H3/b31-19+,32-20+
InChIKeyHEIMMXBHLKOVTF-GKTLAHRSSA-N
MW456.63 g/mol
LogP7.90
Rot. Bonds10

About 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol

4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol (PubChem CID 137143929) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol.

Molecular Properties

Compound Name4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
PubChem CID137143929
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
SMILESCCCCc1cc(C)c(O)c(/C=N/c2ccc(/N=C/c3cc(CCCC)cc(C)c3O)cc2)c1
InChIInChI=1S/C30H36N2O2/c1-5-7-9-23-15-21(3)29(33)25(17-23)19-31-27-11-13-28(14-12-27)32-20-26-18-24(10-8-6-2)16-22(4)30(26)34/h11-20,33-34H,5-10H2,1-4H3/b31-19+,32-20+
InChIKeyHEIMMXBHLKOVTF-GKTLAHRSSA-N
XLogP7.90
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol with MolForge

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Related Compounds

bis(2-[(Z)-hydroxyiminomethyl]-6-methyl-4-nonylphenol);methane
CID 172929210
4-butyl-2-methyl-6-[(E)-pyrrol-1-yliminomethyl]phenol
CID 142095305
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-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol
CID 137130350
2,6-dimethyl-4-pentylphenol
CID 22625507
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
CID 21374203
2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970
5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
CID 4594157
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
4-butyl-2-[[2-[(5-butyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-ylphenol;cobalt(2+);diacetate
CID 159140445

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol?
The IUPAC name of 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol (CID 137143929) is 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol.
What is the SMILES notation for 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol?
The canonical SMILES for 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol is CCCCc1cc(C)c(O)c(/C=N/c2ccc(/N=C/c3cc(CCCC)cc(C)c3O)cc2)c1.
What is the InChIKey of 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol?
The InChIKey is HEIMMXBHLKOVTF-GKTLAHRSSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-5-7-9-23-15-21(3)29(33)25(17-23)19-31-27-11-13-28(14-12-27)32-20-26-18-24(10-8-6-2)16-22(4)30(26)34/h11-20,33-34H,5-10H2,1-4H3/b31-19+,32-20+.
What are the key properties of 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol?
4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol has a molecular weight of 456.63 g/mol, XLogP of 7.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol is sourced from PubChem (CID 137143929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).