4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol

C20H24ClNO2 — CID 136669440

IUPAC4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(/C=N/c2c(C(C)C)cccc2C(C)C)c1O
InChIInChI=1S/C20H24ClNO2/c1-12(2)16-7-6-8-17(13(3)4)19(16)22-11-14-9-15(21)10-18(24-5)20(14)23/h6-13,23H,1-5H3/b22-11+
InChIKeyOWXDVXUVJVIZBV-SSDVNMTOSA-N
MW345.87 g/mol
LogP6.05
Rot. Bonds5

About 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol

4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol (PubChem CID 136669440) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
PubChem CID136669440
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(/C=N/c2c(C(C)C)cccc2C(C)C)c1O
InChIInChI=1S/C20H24ClNO2/c1-12(2)16-7-6-8-17(13(3)4)19(16)22-11-14-9-15(21)10-18(24-5)20(14)23/h6-13,23H,1-5H3/b22-11+
InChIKeyOWXDVXUVJVIZBV-SSDVNMTOSA-N
XLogP6.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol
CID 160938473
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 136747675
2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-propan-2-ylphenol
CID 136706319
3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
CID 3465269
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 135533719
4-chloro-N-[1-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3381035
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol (CID 136669440) is 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol is COc1cc(Cl)cc(/C=N/c2c(C(C)C)cccc2C(C)C)c1O.
What is the InChIKey of 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol?
The InChIKey is OWXDVXUVJVIZBV-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-12(2)16-7-6-8-17(13(3)4)19(16)22-11-14-9-15(21)10-18(24-5)20(14)23/h6-13,23H,1-5H3/b22-11+.
What are the key properties of 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol?
4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol has a molecular weight of 345.87 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 136669440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).