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

C12H15BrO2 — CID 134833207

IUPAC(1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene
SMILESCO[C@@H]1c2cc(Br)ccc2CC[C@H]1OC
InChIInChI=1S/C12H15BrO2/c1-14-11-6-4-8-3-5-9(13)7-10(8)12(11)15-2/h3,5,7,11-12H,4,6H2,1-2H3/t11-,12-/m1/s1
InChIKeyNBQVPWKQXBAYPB-VXGBXAGGSA-N
MW271.15 g/mol
LogP3.10
Rot. Bonds2

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

(1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 134833207) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID134833207
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene
SMILESCO[C@@H]1c2cc(Br)ccc2CC[C@H]1OC
InChIInChI=1S/C12H15BrO2/c1-14-11-6-4-8-3-5-9(13)7-10(8)12(11)15-2/h3,5,7,11-12H,4,6H2,1-2H3/t11-,12-/m1/s1
InChIKeyNBQVPWKQXBAYPB-VXGBXAGGSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene (CID 134833207) is (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene is CO[C@@H]1c2cc(Br)ccc2CC[C@H]1OC.
What is the InChIKey of (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NBQVPWKQXBAYPB-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-14-11-6-4-8-3-5-9(13)7-10(8)12(11)15-2/h3,5,7,11-12H,4,6H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene?
(1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 271.15 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 134833207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).