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

C21H25BrO — CID 22345420

IUPAC6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccccc3)c(Br)cc21
InChIInChI=1S/C21H25BrO/c1-20(2)10-11-21(3,4)17-13-19(18(22)12-16(17)20)23-14-15-8-6-5-7-9-15/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyGRFKXGFJSPSXEL-UHFFFAOYSA-N
MW373.33 g/mol
LogP6.38
Rot. Bonds3

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

6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene (PubChem CID 22345420) has the molecular formula C21H25BrO and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
PubChem CID22345420
Molecular FormulaC21H25BrO
Molecular Weight373.33 g/mol
Exact Mass372.11
IUPAC Name6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccccc3)c(Br)cc21
InChIInChI=1S/C21H25BrO/c1-20(2)10-11-21(3,4)17-13-19(18(22)12-16(17)20)23-14-15-8-6-5-7-9-15/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyGRFKXGFJSPSXEL-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 10853629
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
CID 23193647
1-(5-bromo-4-methoxy-2-phenylmethoxyphenyl)adamantane
CID 67209072
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
5-bromo-2,4-bis(phenylmethoxy)benzoyl chloride
CID 77174849
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
2-bromo-4-nitroso-1-phenylmethoxybenzene
CID 130451234
1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 135313696

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene?
The IUPAC name of 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene (CID 22345420) is 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene.
What is the SMILES notation for 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene?
The canonical SMILES for 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(OCc3ccccc3)c(Br)cc21.
What is the InChIKey of 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene?
The InChIKey is GRFKXGFJSPSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrO/c1-20(2)10-11-21(3,4)17-13-19(18(22)12-16(17)20)23-14-15-8-6-5-7-9-15/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene?
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene has a molecular weight of 373.33 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene is sourced from PubChem (CID 22345420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).