3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene

C15H14BrCl — CID 79838159

IUPAC3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
SMILESCC1(C)CC(Br)c2cc(Cl)c3ccccc3c21
InChIInChI=1S/C15H14BrCl/c1-15(2)8-12(16)11-7-13(17)9-5-3-4-6-10(9)14(11)15/h3-7,12H,8H2,1-2H3
InChIKeyVOOLMOJZLZBKJV-UHFFFAOYSA-N
MW309.63 g/mol
LogP5.61
Rot. Bonds

About 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene

3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene (PubChem CID 79838159) has the molecular formula C15H14BrCl and a molecular weight of 309.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene.

Molecular Properties

Compound Name3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
PubChem CID79838159
Molecular FormulaC15H14BrCl
Molecular Weight309.63 g/mol
Exact Mass308.00
IUPAC Name3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
SMILESCC1(C)CC(Br)c2cc(Cl)c3ccccc3c21
InChIInChI=1S/C15H14BrCl/c1-15(2)8-12(16)11-7-13(17)9-5-3-4-6-10(9)14(11)15/h3-7,12H,8H2,1-2H3
InChIKeyVOOLMOJZLZBKJV-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.63
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
The IUPAC name of 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene (CID 79838159) is 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene.
What is the SMILES notation for 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
The canonical SMILES for 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene is CC1(C)CC(Br)c2cc(Cl)c3ccccc3c21.
What is the InChIKey of 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
The InChIKey is VOOLMOJZLZBKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl/c1-15(2)8-12(16)11-7-13(17)9-5-3-4-6-10(9)14(11)15/h3-7,12H,8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene has a molecular weight of 309.63 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene is sourced from PubChem (CID 79838159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).