7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene

C12H15BrO — CID 118326661

IUPAC7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
SMILESCOC1(C)CCCc2cc(Br)ccc21
InChIInChI=1S/C12H15BrO/c1-12(14-2)7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWUNGVBHJXMCJOE-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.65
Rot. Bonds1

About 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene

7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene (PubChem CID 118326661) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
PubChem CID118326661
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
SMILESCOC1(C)CCCc2cc(Br)ccc21
InChIInChI=1S/C12H15BrO/c1-12(14-2)7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWUNGVBHJXMCJOE-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene (CID 118326661) is 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene is COC1(C)CCCc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene?
The InChIKey is WUNGVBHJXMCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-12(14-2)7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene?
7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene has a molecular weight of 255.15 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 118326661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).