2-bromo-6-(4-pentylcyclohexyl)naphthalene

C21H27Br — CID 20500242

IUPAC2-bromo-6-(4-pentylcyclohexyl)naphthalene
SMILESCCCCCC1CCC(c2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C21H27Br/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-11-20-15-21(22)13-12-19(20)14-18/h10-17H,2-9H2,1H3
InChIKeySJPCXTFPNPXZDF-UHFFFAOYSA-N
MW359.35 g/mol
LogP7.46
Rot. Bonds5

About 2-bromo-6-(4-pentylcyclohexyl)naphthalene

2-bromo-6-(4-pentylcyclohexyl)naphthalene (PubChem CID 20500242) has the molecular formula C21H27Br and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-bromo-6-(4-pentylcyclohexyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(4-pentylcyclohexyl)naphthalene
PubChem CID20500242
Molecular FormulaC21H27Br
Molecular Weight359.35 g/mol
Exact Mass358.13
IUPAC Name2-bromo-6-(4-pentylcyclohexyl)naphthalene
SMILESCCCCCC1CCC(c2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C21H27Br/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-11-20-15-21(22)13-12-19(20)14-18/h10-17H,2-9H2,1H3
InChIKeySJPCXTFPNPXZDF-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(4-pentylcyclohexyl)naphthalene 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

6-(4-pentylcyclohexyl)naphthalen-2-ol
CID 139850093
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
2-(4-pentylcyclohexyl)-6-propoxynaphthalene
CID 20500089
2-(4-butylcyclohexyl)-6-propylnaphthalene
CID 20500444
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
[6-(4-heptylcyclohexyl)naphthalen-2-yl] pentanoate
CID 20500391
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-pentylcyclohexyl)naphthalene?
The IUPAC name of 2-bromo-6-(4-pentylcyclohexyl)naphthalene (CID 20500242) is 2-bromo-6-(4-pentylcyclohexyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(4-pentylcyclohexyl)naphthalene?
The canonical SMILES for 2-bromo-6-(4-pentylcyclohexyl)naphthalene is CCCCCC1CCC(c2ccc3cc(Br)ccc3c2)CC1.
What is the InChIKey of 2-bromo-6-(4-pentylcyclohexyl)naphthalene?
The InChIKey is SJPCXTFPNPXZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Br/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-11-20-15-21(22)13-12-19(20)14-18/h10-17H,2-9H2,1H3.
What are the key properties of 2-bromo-6-(4-pentylcyclohexyl)naphthalene?
2-bromo-6-(4-pentylcyclohexyl)naphthalene has a molecular weight of 359.35 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-pentylcyclohexyl)naphthalene is sourced from PubChem (CID 20500242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).