[4-(methylideneamino)phenyl]methanol

C8H9NO — CID 82253980

IUPAC[4-(methylideneamino)phenyl]methanol
SMILESC=Nc1ccc(CO)cc1
InChIInChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,1,6H2
InChIKeyWUMQGXJBOONEMH-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.51
Rot. Bonds2

About [4-(methylideneamino)phenyl]methanol

[4-(methylideneamino)phenyl]methanol (PubChem CID 82253980) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is [4-(methylideneamino)phenyl]methanol.

Molecular Properties

Compound Name[4-(methylideneamino)phenyl]methanol
PubChem CID82253980
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name[4-(methylideneamino)phenyl]methanol
SMILESC=Nc1ccc(CO)cc1
InChIInChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,1,6H2
InChIKeyWUMQGXJBOONEMH-UHFFFAOYSA-N
XLogP1.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.51
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 [4-(methylideneamino)phenyl]methanol?
The IUPAC name of [4-(methylideneamino)phenyl]methanol (CID 82253980) is [4-(methylideneamino)phenyl]methanol.
What is the SMILES notation for [4-(methylideneamino)phenyl]methanol?
The canonical SMILES for [4-(methylideneamino)phenyl]methanol is C=Nc1ccc(CO)cc1.
What is the InChIKey of [4-(methylideneamino)phenyl]methanol?
The InChIKey is WUMQGXJBOONEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,1,6H2.
What are the key properties of [4-(methylideneamino)phenyl]methanol?
[4-(methylideneamino)phenyl]methanol has a molecular weight of 135.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylideneamino)phenyl]methanol is sourced from PubChem (CID 82253980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).