(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol

C15H17BrO2 — CID 104951328

IUPAC(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CC=CCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H17BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-2,6-8,10,13,15,17H,3-5,9H2/t10?,13-,15?/m1/s1
InChIKeyCEWLKXDBBJFHAN-VROQLPPWSA-N
MW309.20 g/mol
LogP3.99
Rot. Bonds1

About (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol

(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951328) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951328
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CC=CCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H17BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-2,6-8,10,13,15,17H,3-5,9H2/t10?,13-,15?/m1/s1
InChIKeyCEWLKXDBBJFHAN-VROQLPPWSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714617
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380
(4S)-6-bromo-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951316
(4S)-6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951252
6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715586
7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711641
6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715676
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381669
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
CID 142380263

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol (CID 104951328) is (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(C2CC=CCC2)Oc2ccc(Br)cc21.
What is the InChIKey of (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CEWLKXDBBJFHAN-VROQLPPWSA-N. The full InChI is InChI=1S/C15H17BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-2,6-8,10,13,15,17H,3-5,9H2/t10?,13-,15?/m1/s1.
What are the key properties of (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 309.20 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).