1-amino-3-phenylnaphthalen-2-ol

C16H13NO — CID 18916245

IUPAC1-amino-3-phenylnaphthalen-2-ol
SMILESNc1c(O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H13NO/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h1-10,18H,17H2
InChIKeyUZVURQKITWXEST-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.79
Rot. Bonds1

About 1-amino-3-phenylnaphthalen-2-ol

1-amino-3-phenylnaphthalen-2-ol (PubChem CID 18916245) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-amino-3-phenylnaphthalen-2-ol.

Molecular Properties

Compound Name1-amino-3-phenylnaphthalen-2-ol
PubChem CID18916245
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-amino-3-phenylnaphthalen-2-ol
SMILESNc1c(O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H13NO/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h1-10,18H,17H2
InChIKeyUZVURQKITWXEST-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 1-amino-3-phenylnaphthalen-2-ol?
The IUPAC name of 1-amino-3-phenylnaphthalen-2-ol (CID 18916245) is 1-amino-3-phenylnaphthalen-2-ol.
What is the SMILES notation for 1-amino-3-phenylnaphthalen-2-ol?
The canonical SMILES for 1-amino-3-phenylnaphthalen-2-ol is Nc1c(O)c(-c2ccccc2)cc2ccccc12.
What is the InChIKey of 1-amino-3-phenylnaphthalen-2-ol?
The InChIKey is UZVURQKITWXEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h1-10,18H,17H2.
What are the key properties of 1-amino-3-phenylnaphthalen-2-ol?
1-amino-3-phenylnaphthalen-2-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 1-amino-3-phenylnaphthalen-2-ol is sourced from PubChem (CID 18916245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).