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

C15H15Br — CID 164674788

IUPAC5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene
SMILESCC1(C)Cc2cc3cccc(Br)c3cc2C1
InChIInChI=1S/C15H15Br/c1-15(2)8-11-6-10-4-3-5-14(16)13(10)7-12(11)9-15/h3-7H,8-9H2,1-2H3
InChIKeyQMCNGFOCXDLPHA-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.73
Rot. Bonds

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

5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene (PubChem CID 164674788) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene.

Molecular Properties

Compound Name5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene
PubChem CID164674788
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene
SMILESCC1(C)Cc2cc3cccc(Br)c3cc2C1
InChIInChI=1S/C15H15Br/c1-15(2)8-11-6-10-4-3-5-14(16)13(10)7-12(11)9-15/h3-7H,8-9H2,1-2H3
InChIKeyQMCNGFOCXDLPHA-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
The IUPAC name of 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene (CID 164674788) is 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene.
What is the SMILES notation for 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
The canonical SMILES for 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene is CC1(C)Cc2cc3cccc(Br)c3cc2C1.
What is the InChIKey of 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
The InChIKey is QMCNGFOCXDLPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-15(2)8-11-6-10-4-3-5-14(16)13(10)7-12(11)9-15/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene has a molecular weight of 275.19 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene is sourced from PubChem (CID 164674788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).