6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C16H23BrO2 — CID 10853629

IUPAC6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23BrO2/c1-15(2)6-7-16(3,4)12-9-14(19-10-18-5)13(17)8-11(12)15/h8-9H,6-7,10H2,1-5H3
InChIKeyBPEONMBGNDPSON-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.78
Rot. Bonds3

About 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 10853629) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID10853629
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23BrO2/c1-15(2)6-7-16(3,4)12-9-14(19-10-18-5)13(17)8-11(12)15/h8-9H,6-7,10H2,1-5H3
InChIKeyBPEONMBGNDPSON-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 10853629) is 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is COCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is BPEONMBGNDPSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-15(2)6-7-16(3,4)12-9-14(19-10-18-5)13(17)8-11(12)15/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 327.26 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 10853629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).