4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol

C17H13NO2 — CID 135440536

IUPAC4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+
InChIKeyVYQQTWUZKPWPRL-WOJGMQOQSA-N
MW263.30 g/mol
LogP4.02
Rot. Bonds2

About 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol

4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol (PubChem CID 135440536) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
PubChem CID135440536
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+
InChIKeyVYQQTWUZKPWPRL-WOJGMQOQSA-N
XLogP4.02
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
The IUPAC name of 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol (CID 135440536) is 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol.
What is the SMILES notation for 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
The canonical SMILES for 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol is O/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
The InChIKey is VYQQTWUZKPWPRL-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+.
What are the key properties of 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol has a molecular weight of 263.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol is sourced from PubChem (CID 135440536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).