2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol

C19H17NO2 — CID 4034819

IUPAC2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol
SMILESCC(O)c1cccc(/N=C/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C19H17NO2/c1-13(21)15-6-4-7-17(11-15)20-12-16-10-9-14-5-2-3-8-18(14)19(16)22/h2-13,21-22H,1H3/b20-12+
InChIKeyYYAXIUZXBZJSND-UDWIEESQSA-N
MW291.35 g/mol
LogP4.35
Rot. Bonds3

About 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol

2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol (PubChem CID 4034819) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol
PubChem CID4034819
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol
SMILESCC(O)c1cccc(/N=C/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C19H17NO2/c1-13(21)15-6-4-7-17(11-15)20-12-16-10-9-14-5-2-3-8-18(14)19(16)22/h2-13,21-22H,1H3/b20-12+
InChIKeyYYAXIUZXBZJSND-UDWIEESQSA-N
XLogP4.35
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol?
The IUPAC name of 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol (CID 4034819) is 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol?
The canonical SMILES for 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol is CC(O)c1cccc(/N=C/c2ccc3ccccc3c2O)c1.
What is the InChIKey of 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol?
The InChIKey is YYAXIUZXBZJSND-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(21)15-6-4-7-17(11-15)20-12-16-10-9-14-5-2-3-8-18(14)19(16)22/h2-13,21-22H,1H3/b20-12+.
What are the key properties of 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol?
2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol has a molecular weight of 291.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-hydroxyethyl)phenyl]iminomethyl]naphthalen-1-ol is sourced from PubChem (CID 4034819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).