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

C10H10Br2 — CID 45356914

IUPAC(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
SMILESBr[C@@H]1CC[C@H](Br)c2ccccc21
InChIInChI=1S/C10H10Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2/t9-,10+
InChIKeyALQRYBAMWLAYNB-AOOOYVTPSA-N
MW290.00 g/mol
LogP4.35
Rot. Bonds

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

(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene (PubChem CID 45356914) has the molecular formula C10H10Br2 and a molecular weight of 290.00 g/mol. Its IUPAC name is (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
PubChem CID45356914
Molecular FormulaC10H10Br2
Molecular Weight290.00 g/mol
Exact Mass287.91
IUPAC Name(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
SMILESBr[C@@H]1CC[C@H](Br)c2ccccc21
InChIInChI=1S/C10H10Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2/t9-,10+
InChIKeyALQRYBAMWLAYNB-AOOOYVTPSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
3-bromo-2,3-dihydroinden-1-one
CID 11745912
1,3-dibromo-1,2,3,4-tetrahydronaphthalene
CID 3023387
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 12740385
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
2-(2-bromophenyl)cyclobutan-1-amine
CID 105483632

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene (CID 45356914) is (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene is Br[C@@H]1CC[C@H](Br)c2ccccc21.
What is the InChIKey of (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ALQRYBAMWLAYNB-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H10Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2/t9-,10+.
What are the key properties of (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene?
(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene has a molecular weight of 290.00 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 45356914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).