[5-(benzyliminomethyl)furan-2-yl]methanol

C13H13NO2 — CID 15254879

IUPAC[5-(benzyliminomethyl)furan-2-yl]methanol
SMILESOCc1ccc(/C=N/Cc2ccccc2)o1
InChIInChI=1S/C13H13NO2/c15-10-13-7-6-12(16-13)9-14-8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2/b14-9+
InChIKeyAEVQPDIYEDQVAN-NTEUORMPSA-N
MW215.25 g/mol
LogP2.39
Rot. Bonds4

About [5-(benzyliminomethyl)furan-2-yl]methanol

[5-(benzyliminomethyl)furan-2-yl]methanol (PubChem CID 15254879) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is [5-(benzyliminomethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(benzyliminomethyl)furan-2-yl]methanol
PubChem CID15254879
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name[5-(benzyliminomethyl)furan-2-yl]methanol
SMILESOCc1ccc(/C=N/Cc2ccccc2)o1
InChIInChI=1S/C13H13NO2/c15-10-13-7-6-12(16-13)9-14-8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2/b14-9+
InChIKeyAEVQPDIYEDQVAN-NTEUORMPSA-N
XLogP2.39
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[(dibenzylhydrazinylidene)methyl]furan-2-yl]methanol
CID 74989909
[5-(hydroxyiminomethyl)furan-2-yl]methanol
CID 71437375
4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile
CID 126029032
4-[(2E)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 21352237
[5-[(Z)-3H-1-benzofuran-2-ylidenemethyl]furan-2-yl]methanol
CID 155432264
2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde
CID 91153864
CID 134873659
CID 134873659
[3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol
CID 23877083
cyclopentane;phenylmethanol;titanium
CID 23229026
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
CID 153317965
N-benzyl-1-(2-methylphenyl)methanimine;ethane
CID 143782253

Frequently Asked Questions

What is the IUPAC name of [5-(benzyliminomethyl)furan-2-yl]methanol?
The IUPAC name of [5-(benzyliminomethyl)furan-2-yl]methanol (CID 15254879) is [5-(benzyliminomethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(benzyliminomethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(benzyliminomethyl)furan-2-yl]methanol is OCc1ccc(/C=N/Cc2ccccc2)o1.
What is the InChIKey of [5-(benzyliminomethyl)furan-2-yl]methanol?
The InChIKey is AEVQPDIYEDQVAN-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NO2/c15-10-13-7-6-12(16-13)9-14-8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2/b14-9+.
What are the key properties of [5-(benzyliminomethyl)furan-2-yl]methanol?
[5-(benzyliminomethyl)furan-2-yl]methanol has a molecular weight of 215.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzyliminomethyl)furan-2-yl]methanol is sourced from PubChem (CID 15254879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).