2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol

C14H13NO2 — CID 584429

IUPAC2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
SMILESCc1cccc(O)c1/N=C/c1ccccc1O
InChIInChI=1S/C14H13NO2/c1-10-5-4-8-13(17)14(10)15-9-11-6-2-3-7-12(11)16/h2-9,16-17H,1H3/b15-9+
InChIKeyNFFVZACQSMXEGW-OQLLNIDSSA-N
MW227.26 g/mol
LogP3.16
Rot. Bonds2

About 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol

2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol (PubChem CID 584429) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
PubChem CID584429
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
SMILESCc1cccc(O)c1/N=C/c1ccccc1O
InChIInChI=1S/C14H13NO2/c1-10-5-4-8-13(17)14(10)15-9-11-6-2-3-7-12(11)16/h2-9,16-17H,1H3/b15-9+
InChIKeyNFFVZACQSMXEGW-OQLLNIDSSA-N
XLogP3.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol (CID 584429) is 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol is Cc1cccc(O)c1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol?
The InChIKey is NFFVZACQSMXEGW-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-5-4-8-13(17)14(10)15-9-11-6-2-3-7-12(11)16/h2-9,16-17H,1H3/b15-9+.
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol?
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol has a molecular weight of 227.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol is sourced from PubChem (CID 584429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).