(1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol

C10H11BrO2 — CID 14915824

IUPAC(1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol
SMILESO[C@@H]1CCc2ccc(Br)cc2[C@H]1O
InChIInChI=1S/C10H11BrO2/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1,3,5,9-10,12-13H,2,4H2/t9-,10-/m1/s1
InChIKeyDSQGGUYRRLYTHQ-NXEZZACHSA-N
MW243.10 g/mol
LogP1.79
Rot. Bonds

About (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol

(1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol (PubChem CID 14915824) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol
PubChem CID14915824
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol
SMILESO[C@@H]1CCc2ccc(Br)cc2[C@H]1O
InChIInChI=1S/C10H11BrO2/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1,3,5,9-10,12-13H,2,4H2/t9-,10-/m1/s1
InChIKeyDSQGGUYRRLYTHQ-NXEZZACHSA-N
XLogP1.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The IUPAC name of (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol (CID 14915824) is (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol.
What is the SMILES notation for (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The canonical SMILES for (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol is O[C@@H]1CCc2ccc(Br)cc2[C@H]1O.
What is the InChIKey of (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The InChIKey is DSQGGUYRRLYTHQ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1,3,5,9-10,12-13H,2,4H2/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol?
(1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol has a molecular weight of 243.10 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-7-bromo-1,2,3,4-tetrahydronaphthalene-1,2-diol is sourced from PubChem (CID 14915824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).