2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol

C28H28N2O3 — CID 162196265

IUPAC2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol
SMILESCc1ccccc1/N=C/c1ccccc1O.Cc1ccccc1N.O=Cc1ccccc1O
InChIInChI=1S/C14H13NO.C7H9N.C7H6O2/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;1-6-4-2-3-5-7(6)8;8-5-6-3-1-2-4-7(6)9/h2-10,16H,1H3;2-5H,8H2,1H3;1-5,9H/b15-10+;;
InChIKeyZQZATFFMNWLZPX-OVWKBUNZSA-N
MW440.54 g/mol
LogP6.23
Rot. Bonds3

About 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol

2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol (PubChem CID 162196265) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol
PubChem CID162196265
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol
SMILESCc1ccccc1/N=C/c1ccccc1O.Cc1ccccc1N.O=Cc1ccccc1O
InChIInChI=1S/C14H13NO.C7H9N.C7H6O2/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;1-6-4-2-3-5-7(6)8;8-5-6-3-1-2-4-7(6)9/h2-10,16H,1H3;2-5H,8H2,1H3;1-5,9H/b15-10+;;
InChIKeyZQZATFFMNWLZPX-OVWKBUNZSA-N
XLogP6.23
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-hydroxybenzaldehyde;methanamine
CID 174602056
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
CID 158421076
CID 158421076
2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
CID 630747

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol (CID 162196265) is 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol is Cc1ccccc1/N=C/c1ccccc1O.Cc1ccccc1N.O=Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol?
The InChIKey is ZQZATFFMNWLZPX-OVWKBUNZSA-N. The full InChI is InChI=1S/C14H13NO.C7H9N.C7H6O2/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;1-6-4-2-3-5-7(6)8;8-5-6-3-1-2-4-7(6)9/h2-10,16H,1H3;2-5H,8H2,1H3;1-5,9H/b15-10+;;.
What are the key properties of 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol?
2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol has a molecular weight of 440.54 g/mol, XLogP of 6.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 162196265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).