(methylideneamino)-phenylmethanol

C8H9NO — CID 129222053

IUPAC(methylideneamino)-phenylmethanol
SMILESC=NC(O)c1ccccc1
InChIInChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H2
InChIKeyVOAURSQWBZNNIA-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.38
Rot. Bonds2

About (methylideneamino)-phenylmethanol

(methylideneamino)-phenylmethanol (PubChem CID 129222053) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (methylideneamino)-phenylmethanol.

Molecular Properties

Compound Name(methylideneamino)-phenylmethanol
PubChem CID129222053
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(methylideneamino)-phenylmethanol
SMILESC=NC(O)c1ccccc1
InChIInChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H2
InChIKeyVOAURSQWBZNNIA-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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 (methylideneamino)-phenylmethanol?
The IUPAC name of (methylideneamino)-phenylmethanol (CID 129222053) is (methylideneamino)-phenylmethanol.
What is the SMILES notation for (methylideneamino)-phenylmethanol?
The canonical SMILES for (methylideneamino)-phenylmethanol is C=NC(O)c1ccccc1.
What is the InChIKey of (methylideneamino)-phenylmethanol?
The InChIKey is VOAURSQWBZNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H2.
What are the key properties of (methylideneamino)-phenylmethanol?
(methylideneamino)-phenylmethanol has a molecular weight of 135.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (methylideneamino)-phenylmethanol is sourced from PubChem (CID 129222053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).