2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde

C22H27NO2 — CID 135980172

IUPAC2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2C=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H27NO2/c1-21(2,3)17-11-16(20(25)18(12-17)22(4,5)6)13-23-19-10-8-7-9-15(19)14-24/h7-14,25H,1-6H3/b23-13+
InChIKeyOPQIXBCMRLSYHC-YDZHTSKRSA-N
MW337.46 g/mol
LogP5.55
Rot. Bonds3

About 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde

2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde (PubChem CID 135980172) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde.

Molecular Properties

Compound Name2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
PubChem CID135980172
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2C=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H27NO2/c1-21(2,3)17-11-16(20(25)18(12-17)22(4,5)6)13-23-19-10-8-7-9-15(19)14-24/h7-14,25H,1-6H3/b23-13+
InChIKeyOPQIXBCMRLSYHC-YDZHTSKRSA-N
XLogP5.55
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzaldehyde
CID 175778675
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 137211461
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
2,4-ditert-butyl-6-[[2-[[3,5-ditert-butyl-2-[chloro(methyl)alumanyl]oxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
CID 155648257
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
CID 162278985
CID 162278985
2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
CID 137225849
2,4-ditert-butyl-6-[[2-[(2-hydroxyphenyl)methylideneamino]-4-nitrophenyl]iminomethyl]phenol
CID 139203413
2,4-ditert-butyl-6-[(2-phenylsulfanylphenyl)iminomethyl]phenol;trichlorotitanium
CID 135475785

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde?
The IUPAC name of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde (CID 135980172) is 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde.
What is the SMILES notation for 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde?
The canonical SMILES for 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde is CC(C)(C)c1cc(/C=N/c2ccccc2C=O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde?
The InChIKey is OPQIXBCMRLSYHC-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H27NO2/c1-21(2,3)17-11-16(20(25)18(12-17)22(4,5)6)13-23-19-10-8-7-9-15(19)14-24/h7-14,25H,1-6H3/b23-13+.
What are the key properties of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde?
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde has a molecular weight of 337.46 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde is sourced from PubChem (CID 135980172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).