2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde

C15H13NO2 — CID 136741770

IUPAC2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
SMILESCc1cc(C=O)c(O)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c1-11-7-12(15(18)13(8-11)10-17)9-16-14-5-3-2-4-6-14/h2-10,18H,1H3/b16-9+
InChIKeyHTYSRSDTGJAGFO-CXUHLZMHSA-N
MW239.27 g/mol
LogP3.26
Rot. Bonds3

About 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde

2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde (PubChem CID 136741770) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
PubChem CID136741770
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
SMILESCc1cc(C=O)c(O)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c1-11-7-12(15(18)13(8-11)10-17)9-16-14-5-3-2-4-6-14/h2-10,18H,1H3/b16-9+
InChIKeyHTYSRSDTGJAGFO-CXUHLZMHSA-N
XLogP3.26
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.26
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

2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546
2-hydroxy-3-(hydroxyiminomethyl)-5-methylbenzaldehyde
CID 137203329
4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol
CID 135997437
2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
CID 136675336
1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone
CID 136760126
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-hydroxy-5-methylbenzaldehyde
CID 136669412
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
4-methyl-2-(phenyliminomethyl)aniline
CID 139726369
4-benzyl-2-bromo-6-[(4-methylphenyl)iminomethyl]phenol
CID 3961983
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
CID 4248797

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde (CID 136741770) is 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde is Cc1cc(C=O)c(O)c(/C=N/c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde?
The InChIKey is HTYSRSDTGJAGFO-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-7-12(15(18)13(8-11)10-17)9-16-14-5-3-2-4-6-14/h2-10,18H,1H3/b16-9+.
What are the key properties of 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde?
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde has a molecular weight of 239.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde is sourced from PubChem (CID 136741770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).