2-(8-bromonaphthalen-1-yl)phenol

C16H11BrO — CID 176647066

IUPAC2-(8-bromonaphthalen-1-yl)phenol
SMILESOc1ccccc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C16H11BrO/c17-14-9-4-6-11-5-3-8-13(16(11)14)12-7-1-2-10-15(12)18/h1-10,18H
InChIKeyTXSZPNAPOBKMDO-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.97
Rot. Bonds1

About 2-(8-bromonaphthalen-1-yl)phenol

2-(8-bromonaphthalen-1-yl)phenol (PubChem CID 176647066) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(8-bromonaphthalen-1-yl)phenol.

Molecular Properties

Compound Name2-(8-bromonaphthalen-1-yl)phenol
PubChem CID176647066
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name2-(8-bromonaphthalen-1-yl)phenol
SMILESOc1ccccc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C16H11BrO/c17-14-9-4-6-11-5-3-8-13(16(11)14)12-7-1-2-10-15(12)18/h1-10,18H
InChIKeyTXSZPNAPOBKMDO-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(8-bromonaphthalen-1-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromonaphthalen-1-yl)phenol?
The IUPAC name of 2-(8-bromonaphthalen-1-yl)phenol (CID 176647066) is 2-(8-bromonaphthalen-1-yl)phenol.
What is the SMILES notation for 2-(8-bromonaphthalen-1-yl)phenol?
The canonical SMILES for 2-(8-bromonaphthalen-1-yl)phenol is Oc1ccccc1-c1cccc2cccc(Br)c12.
What is the InChIKey of 2-(8-bromonaphthalen-1-yl)phenol?
The InChIKey is TXSZPNAPOBKMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO/c17-14-9-4-6-11-5-3-8-13(16(11)14)12-7-1-2-10-15(12)18/h1-10,18H.
What are the key properties of 2-(8-bromonaphthalen-1-yl)phenol?
2-(8-bromonaphthalen-1-yl)phenol has a molecular weight of 299.17 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromonaphthalen-1-yl)phenol is sourced from PubChem (CID 176647066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).