2-(naphthalen-1-yliminomethyl)phenol

C17H13NO — CID 690983

IUPAC2-(naphthalen-1-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C17H13NO/c19-17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16/h1-12,19H/b18-12+
InChIKeySOJUPXWRMKYNLZ-LDADJPATSA-N
MW247.30 g/mol
LogP4.30
Rot. Bonds2

About 2-(naphthalen-1-yliminomethyl)phenol

2-(naphthalen-1-yliminomethyl)phenol (PubChem CID 690983) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(naphthalen-1-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(naphthalen-1-yliminomethyl)phenol
PubChem CID690983
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name2-(naphthalen-1-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C17H13NO/c19-17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16/h1-12,19H/b18-12+
InChIKeySOJUPXWRMKYNLZ-LDADJPATSA-N
XLogP4.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.30
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 2-(naphthalen-1-yliminomethyl)phenol?
The IUPAC name of 2-(naphthalen-1-yliminomethyl)phenol (CID 690983) is 2-(naphthalen-1-yliminomethyl)phenol.
What is the SMILES notation for 2-(naphthalen-1-yliminomethyl)phenol?
The canonical SMILES for 2-(naphthalen-1-yliminomethyl)phenol is Oc1ccccc1/C=N/c1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-yliminomethyl)phenol?
The InChIKey is SOJUPXWRMKYNLZ-LDADJPATSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16/h1-12,19H/b18-12+.
What are the key properties of 2-(naphthalen-1-yliminomethyl)phenol?
2-(naphthalen-1-yliminomethyl)phenol has a molecular weight of 247.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-yliminomethyl)phenol is sourced from PubChem (CID 690983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).