(1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol

C12H9BrO — CID 11807034

IUPAC(1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol
SMILESO[C@@H]1c2cccc3cccc(c23)[C@H]1Br
InChIInChI=1S/C12H9BrO/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-12,14H/t11-,12-/m1/s1
InChIKeyPKFOMRHTQPFAEM-VXGBXAGGSA-N
MW249.11 g/mol
LogP3.32
Rot. Bonds

About (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol

(1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol (PubChem CID 11807034) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol
PubChem CID11807034
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name(1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol
SMILESO[C@@H]1c2cccc3cccc(c23)[C@H]1Br
InChIInChI=1S/C12H9BrO/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-12,14H/t11-,12-/m1/s1
InChIKeyPKFOMRHTQPFAEM-VXGBXAGGSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol 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 (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol?
The IUPAC name of (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol (CID 11807034) is (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol.
What is the SMILES notation for (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol?
The canonical SMILES for (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol is O[C@@H]1c2cccc3cccc(c23)[C@H]1Br.
What is the InChIKey of (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol?
The InChIKey is PKFOMRHTQPFAEM-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H9BrO/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-12,14H/t11-,12-/m1/s1.
What are the key properties of (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol?
(1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol has a molecular weight of 249.11 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol is sourced from PubChem (CID 11807034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).