3-amino-4-phenylnaphthalen-1-ol

C16H13NO — CID 18730529

IUPAC3-amino-4-phenylnaphthalen-1-ol
SMILESNc1cc(O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H13NO/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10,18H,17H2
InChIKeyBPBCJDGXDYSFRR-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.79
Rot. Bonds1

About 3-amino-4-phenylnaphthalen-1-ol

3-amino-4-phenylnaphthalen-1-ol (PubChem CID 18730529) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-4-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name3-amino-4-phenylnaphthalen-1-ol
PubChem CID18730529
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-amino-4-phenylnaphthalen-1-ol
SMILESNc1cc(O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H13NO/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10,18H,17H2
InChIKeyBPBCJDGXDYSFRR-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenylnaphthalen-1-ol?
The IUPAC name of 3-amino-4-phenylnaphthalen-1-ol (CID 18730529) is 3-amino-4-phenylnaphthalen-1-ol.
What is the SMILES notation for 3-amino-4-phenylnaphthalen-1-ol?
The canonical SMILES for 3-amino-4-phenylnaphthalen-1-ol is Nc1cc(O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-amino-4-phenylnaphthalen-1-ol?
The InChIKey is BPBCJDGXDYSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10,18H,17H2.
What are the key properties of 3-amino-4-phenylnaphthalen-1-ol?
3-amino-4-phenylnaphthalen-1-ol 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 3-amino-4-phenylnaphthalen-1-ol is sourced from PubChem (CID 18730529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).