4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol

C17H19NO3 — CID 22095437

IUPAC4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(CC/N=C/c2ccccc2)cc(CO)c1O
InChIInChI=1S/C17H19NO3/c19-11-15-8-14(9-16(12-20)17(15)21)6-7-18-10-13-4-2-1-3-5-13/h1-5,8-10,19-21H,6-7,11-12H2/b18-10+
InChIKeyQKXXCMYINKPRSX-VCHYOVAHSA-N
MW285.34 g/mol
LogP2.04
Rot. Bonds6

About 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol

4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 22095437) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol
PubChem CID22095437
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(CC/N=C/c2ccccc2)cc(CO)c1O
InChIInChI=1S/C17H19NO3/c19-11-15-8-14(9-16(12-20)17(15)21)6-7-18-10-13-4-2-1-3-5-13/h1-5,8-10,19-21H,6-7,11-12H2/b18-10+
InChIKeyQKXXCMYINKPRSX-VCHYOVAHSA-N
XLogP2.04
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol (CID 22095437) is 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol is OCc1cc(CC/N=C/c2ccccc2)cc(CO)c1O.
What is the InChIKey of 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is QKXXCMYINKPRSX-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19NO3/c19-11-15-8-14(9-16(12-20)17(15)21)6-7-18-10-13-4-2-1-3-5-13/h1-5,8-10,19-21H,6-7,11-12H2/b18-10+.
What are the key properties of 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol?
4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 285.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylideneamino)ethyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 22095437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).