2-(2-bromocycloheptyl)naphthalene

C17H19Br — CID 55196903

IUPAC2-(2-bromocycloheptyl)naphthalene
SMILESBrC1CCCCCC1c1ccc2ccccc2c1
InChIInChI=1S/C17H19Br/c18-17-9-3-1-2-8-16(17)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16-17H,1-3,8-9H2
InChIKeyACAFSWCMOPEWFS-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.65
Rot. Bonds1

About 2-(2-bromocycloheptyl)naphthalene

2-(2-bromocycloheptyl)naphthalene (PubChem CID 55196903) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-(2-bromocycloheptyl)naphthalene.

Molecular Properties

Compound Name2-(2-bromocycloheptyl)naphthalene
PubChem CID55196903
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name2-(2-bromocycloheptyl)naphthalene
SMILESBrC1CCCCCC1c1ccc2ccccc2c1
InChIInChI=1S/C17H19Br/c18-17-9-3-1-2-8-16(17)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16-17H,1-3,8-9H2
InChIKeyACAFSWCMOPEWFS-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.65
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

2-(2-bromocyclopentyl)naphthalene
CID 63512142
2-naphthalen-2-ylcyclohexan-1-ol
CID 2793882
cis-(1R,2R)-2-naphthalen-2-ylcyclohexan-1-ol
CID 68819847
1-bromo-2-phenylcycloheptane
CID 63510810
2-(2-chlorocyclohexyl)naphthalene
CID 63511452
2-(2-chlorocyclopentyl)naphthalene
CID 63510786
2-[(1S,2S)-2-nitrocyclohexyl]naphthalene
CID 101089937
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
4-(2-bromocyclopentyl)-1,2-dimethylbenzene
CID 63511139
4-(2-bromocyclopentyl)-1,2-dichlorobenzene
CID 63511309
1-bromo-2-(3-propylphenyl)cycloheptane
CID 116545541
2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene
CID 101353270

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocycloheptyl)naphthalene?
The IUPAC name of 2-(2-bromocycloheptyl)naphthalene (CID 55196903) is 2-(2-bromocycloheptyl)naphthalene.
What is the SMILES notation for 2-(2-bromocycloheptyl)naphthalene?
The canonical SMILES for 2-(2-bromocycloheptyl)naphthalene is BrC1CCCCCC1c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-bromocycloheptyl)naphthalene?
The InChIKey is ACAFSWCMOPEWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c18-17-9-3-1-2-8-16(17)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16-17H,1-3,8-9H2.
What are the key properties of 2-(2-bromocycloheptyl)naphthalene?
2-(2-bromocycloheptyl)naphthalene has a molecular weight of 303.24 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocycloheptyl)naphthalene is sourced from PubChem (CID 55196903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).