6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene

C18H17Br — CID 70259352

IUPAC6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene
SMILESCC1(C)CC=Cc2cc(-c3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H17Br/c1-18(2)11-3-4-15-12-14(7-10-17(15)18)13-5-8-16(19)9-6-13/h3-10,12H,11H2,1-2H3
InChIKeyXKVSIHXDBFHWNP-UHFFFAOYSA-N
MW313.24 g/mol
LogP5.81
Rot. Bonds1

About 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene

6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene (PubChem CID 70259352) has the molecular formula C18H17Br and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene.

Molecular Properties

Compound Name6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene
PubChem CID70259352
Molecular FormulaC18H17Br
Molecular Weight313.24 g/mol
Exact Mass312.05
IUPAC Name6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene
SMILESCC1(C)CC=Cc2cc(-c3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H17Br/c1-18(2)11-3-4-15-12-14(7-10-17(15)18)13-5-8-16(19)9-6-13/h3-10,12H,11H2,1-2H3
InChIKeyXKVSIHXDBFHWNP-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene?
The IUPAC name of 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene (CID 70259352) is 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene.
What is the SMILES notation for 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene?
The canonical SMILES for 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene is CC1(C)CC=Cc2cc(-c3ccc(Br)cc3)ccc21.
What is the InChIKey of 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene?
The InChIKey is XKVSIHXDBFHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br/c1-18(2)11-3-4-15-12-14(7-10-17(15)18)13-5-8-16(19)9-6-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene?
6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene has a molecular weight of 313.24 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene is sourced from PubChem (CID 70259352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).