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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Related Compounds

3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
CID 79838258
3-chloro-5-methoxy-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
CID 79837495
1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol
CID 79837865
1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene
CID 115485019
5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144911
1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene
CID 79838157
9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine
CID 79597194
(13R,14S,16S)-13-amino-6-chloro-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-16-ol
CID 154963016
(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837769
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
CID 135213343
N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine
CID 114939791
(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
CID 45356914

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).