2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol

C24H32N2O2 — CID 137037419

IUPAC2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol
SMILESCc1cc(C(C)C)cc(/C=N/CC/N=C/c2cc(C(C)C)cc(C)c2O)c1O
InChIInChI=1S/C24H32N2O2/c1-15(2)19-9-17(5)23(27)21(11-19)13-25-7-8-26-14-22-12-20(16(3)4)10-18(6)24(22)28/h9-16,27-28H,7-8H2,1-6H3/b25-13+,26-14+
InChIKeyYTVGQGNRWNSICO-BKHCZYBLSA-N
MW380.53 g/mol
LogP5.50
Rot. Bonds7

About 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol

2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol (PubChem CID 137037419) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol
PubChem CID137037419
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol
SMILESCc1cc(C(C)C)cc(/C=N/CC/N=C/c2cc(C(C)C)cc(C)c2O)c1O
InChIInChI=1S/C24H32N2O2/c1-15(2)19-9-17(5)23(27)21(11-19)13-25-7-8-26-14-22-12-20(16(3)4)10-18(6)24(22)28/h9-16,27-28H,7-8H2,1-6H3/b25-13+,26-14+
InChIKeyYTVGQGNRWNSICO-BKHCZYBLSA-N
XLogP5.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol with MolForge

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Related Compounds

2-hydroxy-3-methyl-5-propan-2-ylbenzaldehyde
CID 71330905
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
CID 161219706
2-[[3-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-propan-2-ylphenol
CID 137030199
2-[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]propyliminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137061127
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188
cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate
CID 173033897
2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol
CID 139245406
2-[3-[2-[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-4-propan-2-ylphenol
CID 135587662

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol?
The IUPAC name of 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol (CID 137037419) is 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol?
The canonical SMILES for 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol is Cc1cc(C(C)C)cc(/C=N/CC/N=C/c2cc(C(C)C)cc(C)c2O)c1O.
What is the InChIKey of 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol?
The InChIKey is YTVGQGNRWNSICO-BKHCZYBLSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-15(2)19-9-17(5)23(27)21(11-19)13-25-7-8-26-14-22-12-20(16(3)4)10-18(6)24(22)28/h9-16,27-28H,7-8H2,1-6H3/b25-13+,26-14+.
What are the key properties of 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol?
2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol has a molecular weight of 380.53 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 137037419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).