7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C18H27BrO3 — CID 22347862

IUPAC7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOCCOCOc1cc(Br)cc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C18H27BrO3/c1-17(2)6-7-18(3,4)16-14(17)10-13(19)11-15(16)22-12-21-9-8-20-5/h10-11H,6-9,12H2,1-5H3
InChIKeyCLEGXLAUWJQDCP-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.80
Rot. Bonds6

About 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 22347862) has the molecular formula C18H27BrO3 and a molecular weight of 371.32 g/mol. Its IUPAC name is 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID22347862
Molecular FormulaC18H27BrO3
Molecular Weight371.32 g/mol
Exact Mass370.11
IUPAC Name7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOCCOCOc1cc(Br)cc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C18H27BrO3/c1-17(2)6-7-18(3,4)16-14(17)10-13(19)11-15(16)22-12-21-9-8-20-5/h10-11H,6-9,12H2,1-5H3
InChIKeyCLEGXLAUWJQDCP-UHFFFAOYSA-N
XLogP4.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 22347862) is 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is COCCOCOc1cc(Br)cc2c1C(C)(C)CCC2(C)C.
What is the InChIKey of 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is CLEGXLAUWJQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrO3/c1-17(2)6-7-18(3,4)16-14(17)10-13(19)11-15(16)22-12-21-9-8-20-5/h10-11H,6-9,12H2,1-5H3.
What are the key properties of 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 371.32 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 22347862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).