3-[(3-methylphenyl)methylideneamino]phenol

C14H13NO — CID 693732

IUPAC3-[(3-methylphenyl)methylideneamino]phenol
SMILESCc1cccc(/C=N/c2cccc(O)c2)c1
InChIInChI=1S/C14H13NO/c1-11-4-2-5-12(8-11)10-15-13-6-3-7-14(16)9-13/h2-10,16H,1H3/b15-10+
InChIKeyBZVVMVJLRQISDU-XNTDXEJSSA-N
MW211.26 g/mol
LogP3.45
Rot. Bonds2

About 3-[(3-methylphenyl)methylideneamino]phenol

3-[(3-methylphenyl)methylideneamino]phenol (PubChem CID 693732) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylideneamino]phenol
PubChem CID693732
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-[(3-methylphenyl)methylideneamino]phenol
SMILESCc1cccc(/C=N/c2cccc(O)c2)c1
InChIInChI=1S/C14H13NO/c1-11-4-2-5-12(8-11)10-15-13-6-3-7-14(16)9-13/h2-10,16H,1H3/b15-10+
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XLogP3.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylideneamino]phenol?
The IUPAC name of 3-[(3-methylphenyl)methylideneamino]phenol (CID 693732) is 3-[(3-methylphenyl)methylideneamino]phenol.
What is the SMILES notation for 3-[(3-methylphenyl)methylideneamino]phenol?
The canonical SMILES for 3-[(3-methylphenyl)methylideneamino]phenol is Cc1cccc(/C=N/c2cccc(O)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylideneamino]phenol?
The InChIKey is BZVVMVJLRQISDU-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13NO/c1-11-4-2-5-12(8-11)10-15-13-6-3-7-14(16)9-13/h2-10,16H,1H3/b15-10+.
What are the key properties of 3-[(3-methylphenyl)methylideneamino]phenol?
3-[(3-methylphenyl)methylideneamino]phenol has a molecular weight of 211.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylideneamino]phenol is sourced from PubChem (CID 693732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).