2-amino-3-naphthalen-2-ylphenol

C16H13NO — CID 175155889

IUPAC2-amino-3-naphthalen-2-ylphenol
SMILESNc1c(O)cccc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H13NO/c17-16-14(6-3-7-15(16)18)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,18H,17H2
InChIKeyAIPYMFBSVZVNAM-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.79
Rot. Bonds1

About 2-amino-3-naphthalen-2-ylphenol

2-amino-3-naphthalen-2-ylphenol (PubChem CID 175155889) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-3-naphthalen-2-ylphenol.

Molecular Properties

Compound Name2-amino-3-naphthalen-2-ylphenol
PubChem CID175155889
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-amino-3-naphthalen-2-ylphenol
SMILESNc1c(O)cccc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H13NO/c17-16-14(6-3-7-15(16)18)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,18H,17H2
InChIKeyAIPYMFBSVZVNAM-UHFFFAOYSA-N
XLogP3.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-naphthalen-2-ylphenol?
The IUPAC name of 2-amino-3-naphthalen-2-ylphenol (CID 175155889) is 2-amino-3-naphthalen-2-ylphenol.
What is the SMILES notation for 2-amino-3-naphthalen-2-ylphenol?
The canonical SMILES for 2-amino-3-naphthalen-2-ylphenol is Nc1c(O)cccc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-3-naphthalen-2-ylphenol?
The InChIKey is AIPYMFBSVZVNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-16-14(6-3-7-15(16)18)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,18H,17H2.
What are the key properties of 2-amino-3-naphthalen-2-ylphenol?
2-amino-3-naphthalen-2-ylphenol has a molecular weight of 235.29 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-naphthalen-2-ylphenol is sourced from PubChem (CID 175155889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).