(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol

C10H10Br2O2 — CID 12740385

IUPAC(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
SMILESO[C@@H]1c2ccccc2[C@@H](O)[C@H](Br)[C@H]1Br
InChIInChI=1S/C10H10Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4,7-10,13-14H/t7-,8-,9-,10-/m1/s1
InChIKeyWYGPQEXBYBTNRW-ZYUZMQFOSA-N
MW322.00 g/mol
LogP2.29
Rot. Bonds

About (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol

(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol (PubChem CID 12740385) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol.

Molecular Properties

Compound Name(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
PubChem CID12740385
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
SMILESO[C@@H]1c2ccccc2[C@@H](O)[C@H](Br)[C@H]1Br
InChIInChI=1S/C10H10Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4,7-10,13-14H/t7-,8-,9-,10-/m1/s1
InChIKeyWYGPQEXBYBTNRW-ZYUZMQFOSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol 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

(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
CID 10511719
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
2-(2,3-dibromocyclopropyl)phenol
CID 21403439
(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 11231966
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol
CID 102091522
(1R,2S,3R,10R,11R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-diol
CID 100934391
tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol
CID 130147962
(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
CID 24778112
(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol
CID 125481734
(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol
CID 45117222

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol?
The IUPAC name of (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol (CID 12740385) is (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol.
What is the SMILES notation for (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol?
The canonical SMILES for (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol is O[C@@H]1c2ccccc2[C@@H](O)[C@H](Br)[C@H]1Br.
What is the InChIKey of (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol?
The InChIKey is WYGPQEXBYBTNRW-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H10Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4,7-10,13-14H/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol?
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol has a molecular weight of 322.00 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol is sourced from PubChem (CID 12740385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).