6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene

C11H13BrO — CID 53438790

IUPAC6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H13BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2,4,6,11H,3,5,7H2,1H3
InChIKeyDPWCEMKSEMIPCF-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.95
Rot. Bonds1

About 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene

6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 53438790) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID53438790
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H13BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2,4,6,11H,3,5,7H2,1H3
InChIKeyDPWCEMKSEMIPCF-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene (CID 53438790) is 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene is COC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DPWCEMKSEMIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2,4,6,11H,3,5,7H2,1H3.
What are the key properties of 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene?
6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 241.13 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 53438790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).