6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C15H21BrO — CID 10732746

IUPAC6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H21BrO/c1-14(2)6-7-15(3,4)11-9-13(17-5)12(16)8-10(11)14/h8-9H,6-7H2,1-5H3
InChIKeyWIFNLUBZVRKEHQ-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.81
Rot. Bonds1

About 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 10732746) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID10732746
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H21BrO/c1-14(2)6-7-15(3,4)11-9-13(17-5)12(16)8-10(11)14/h8-9H,6-7H2,1-5H3
InChIKeyWIFNLUBZVRKEHQ-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 10732746) is 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is COc1cc2c(cc1Br)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is WIFNLUBZVRKEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-14(2)6-7-15(3,4)11-9-13(17-5)12(16)8-10(11)14/h8-9H,6-7H2,1-5H3.
What are the key properties of 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 297.24 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 10732746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).