1-bromo-4-cycloheptylnaphthalene

C17H19Br — CID 91324562

IUPAC1-bromo-4-cycloheptylnaphthalene
SMILESBrc1ccc(C2CCCCCC2)c2ccccc12
InChIInChI=1S/C17H19Br/c18-17-12-11-14(13-7-3-1-2-4-8-13)15-9-5-6-10-16(15)17/h5-6,9-13H,1-4,7-8H2
InChIKeyCRADXOCUSZEPGP-UHFFFAOYSA-N
MW303.24 g/mol
LogP6.04
Rot. Bonds1

About 1-bromo-4-cycloheptylnaphthalene

1-bromo-4-cycloheptylnaphthalene (PubChem CID 91324562) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-bromo-4-cycloheptylnaphthalene.

Molecular Properties

Compound Name1-bromo-4-cycloheptylnaphthalene
PubChem CID91324562
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name1-bromo-4-cycloheptylnaphthalene
SMILESBrc1ccc(C2CCCCCC2)c2ccccc12
InChIInChI=1S/C17H19Br/c18-17-12-11-14(13-7-3-1-2-4-8-13)15-9-5-6-10-16(15)17/h5-6,9-13H,1-4,7-8H2
InChIKeyCRADXOCUSZEPGP-UHFFFAOYSA-N
XLogP6.04
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 ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-cycloheptylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethyl)-4-cyclohexylnaphthalene
CID 23346480
1,4-dibromonaphthalene
CID 162208061
1-butyl-4-cyclohexylnaphthalene
CID 173269132
1-cyclopentyl-4-propylnaphthalene
CID 173269016
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
1,4-dicyclohexyl-2,3-dihydroperoxybenzene
CID 21162802
1-bromo-2-cyclohexyl-4-methylbenzene
CID 117104268
methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate
CID 23346484
5-cyclohexyl-1,3-dimethylnaphthalene
CID 153456368
2-cyclododecylphenol
CID 22381643
2,6-di(cycloheptyl)aniline
CID 156891849
4-cyclopentylquinoline
CID 57273226

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cycloheptylnaphthalene?
The IUPAC name of 1-bromo-4-cycloheptylnaphthalene (CID 91324562) is 1-bromo-4-cycloheptylnaphthalene.
What is the SMILES notation for 1-bromo-4-cycloheptylnaphthalene?
The canonical SMILES for 1-bromo-4-cycloheptylnaphthalene is Brc1ccc(C2CCCCCC2)c2ccccc12.
What is the InChIKey of 1-bromo-4-cycloheptylnaphthalene?
The InChIKey is CRADXOCUSZEPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c18-17-12-11-14(13-7-3-1-2-4-8-13)15-9-5-6-10-16(15)17/h5-6,9-13H,1-4,7-8H2.
What are the key properties of 1-bromo-4-cycloheptylnaphthalene?
1-bromo-4-cycloheptylnaphthalene has a molecular weight of 303.24 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cycloheptylnaphthalene is sourced from PubChem (CID 91324562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).