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

C14H19Br — CID 175335793

IUPAC7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
SMILESCC1(C)CCc2cc(Br)ccc2C1(C)C
InChIInChI=1S/C14H19Br/c1-13(2)8-7-10-9-11(15)5-6-12(10)14(13,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyBGVYDXDLZVHKNS-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.70
Rot. Bonds

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

7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene (PubChem CID 175335793) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
PubChem CID175335793
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
SMILESCC1(C)CCc2cc(Br)ccc2C1(C)C
InChIInChI=1S/C14H19Br/c1-13(2)8-7-10-9-11(15)5-6-12(10)14(13,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyBGVYDXDLZVHKNS-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene?
The IUPAC name of 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene (CID 175335793) is 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene is CC1(C)CCc2cc(Br)ccc2C1(C)C.
What is the InChIKey of 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene?
The InChIKey is BGVYDXDLZVHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-13(2)8-7-10-9-11(15)5-6-12(10)14(13,3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene?
7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene has a molecular weight of 267.21 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 175335793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).