6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene

C18H17Br — CID 22393096

IUPAC6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene
SMILESCC1(C)CC=C(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C18H17Br/c1-18(2)11-10-15(13-6-4-3-5-7-13)16-12-14(19)8-9-17(16)18/h3-10,12H,11H2,1-2H3
InChIKeyJJTLAMLDAMUQLD-UHFFFAOYSA-N
MW313.24 g/mol
LogP5.56
Rot. Bonds1

About 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene

6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene (PubChem CID 22393096) has the molecular formula C18H17Br and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene.

Molecular Properties

Compound Name6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene
PubChem CID22393096
Molecular FormulaC18H17Br
Molecular Weight313.24 g/mol
Exact Mass312.05
IUPAC Name6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene
SMILESCC1(C)CC=C(c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C18H17Br/c1-18(2)11-10-15(13-6-4-3-5-7-13)16-12-14(19)8-9-17(16)18/h3-10,12H,11H2,1-2H3
InChIKeyJJTLAMLDAMUQLD-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.24
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene?
The IUPAC name of 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene (CID 22393096) is 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene.
What is the SMILES notation for 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene?
The canonical SMILES for 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene is CC1(C)CC=C(c2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene?
The InChIKey is JJTLAMLDAMUQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br/c1-18(2)11-10-15(13-6-4-3-5-7-13)16-12-14(19)8-9-17(16)18/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene?
6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene has a molecular weight of 313.24 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1-dimethyl-4-phenyl-2H-naphthalene is sourced from PubChem (CID 22393096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).