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

C15H25BrO — CID 144926218

IUPAC6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC.COC1CCCc2cc(Br)ccc21
InChIInChI=1S/C11H13BrO.2C2H6/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;2*1-2/h5-7,11H,2-4H2,1H3;2*1-2H3
InChIKeyGJKAJHYCTAVHHA-UHFFFAOYSA-N
MW301.27 g/mol
LogP5.53
Rot. Bonds1

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

6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane (PubChem CID 144926218) has the molecular formula C15H25BrO and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane.

Molecular Properties

Compound Name6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane
PubChem CID144926218
Molecular FormulaC15H25BrO
Molecular Weight301.27 g/mol
Exact Mass300.11
IUPAC Name6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC.COC1CCCc2cc(Br)ccc21
InChIInChI=1S/C11H13BrO.2C2H6/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;2*1-2/h5-7,11H,2-4H2,1H3;2*1-2H3
InChIKeyGJKAJHYCTAVHHA-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.27
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane?
The IUPAC name of 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane (CID 144926218) is 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane.
What is the SMILES notation for 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane?
The canonical SMILES for 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane is CC.CC.COC1CCCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane?
The InChIKey is GJKAJHYCTAVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO.2C2H6/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;2*1-2/h5-7,11H,2-4H2,1H3;2*1-2H3.
What are the key properties of 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane?
6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane has a molecular weight of 301.27 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methoxy-1,2,3,4-tetrahydronaphthalene;ethane is sourced from PubChem (CID 144926218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).