6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C21H24BrFO — CID 22345381

IUPAC6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccc(F)cc3)c(Br)cc21
InChIInChI=1S/C21H24BrFO/c1-20(2)9-10-21(3,4)17-12-19(18(22)11-16(17)20)24-13-14-5-7-15(23)8-6-14/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyRPUQUSLHSQYBEV-UHFFFAOYSA-N
MW391.32 g/mol
LogP6.52
Rot. Bonds3

About 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 22345381) has the molecular formula C21H24BrFO and a molecular weight of 391.32 g/mol. Its IUPAC name is 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID22345381
Molecular FormulaC21H24BrFO
Molecular Weight391.32 g/mol
Exact Mass390.10
IUPAC Name6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccc(F)cc3)c(Br)cc21
InChIInChI=1S/C21H24BrFO/c1-20(2)9-10-21(3,4)17-12-19(18(22)11-16(17)20)24-13-14-5-7-15(23)8-6-14/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyRPUQUSLHSQYBEV-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-7-[(4-fluorophenyl)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-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 22345381) is 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(OCc3ccc(F)cc3)c(Br)cc21.
What is the InChIKey of 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is RPUQUSLHSQYBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFO/c1-20(2)9-10-21(3,4)17-12-19(18(22)11-16(17)20)24-13-14-5-7-15(23)8-6-14/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 391.32 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 22345381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).