6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene

C18H21BrO — CID 123862980

IUPAC6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene
SMILESCc1c(OC2CCC(C)CC2)ccc2cc(Br)ccc12
InChIInChI=1S/C18H21BrO/c1-12-3-7-16(8-4-12)20-18-10-5-14-11-15(19)6-9-17(14)13(18)2/h5-6,9-12,16H,3-4,7-8H2,1-2H3
InChIKeyPEGKRXHLERRGRZ-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.87
Rot. Bonds2

About 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene

6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene (PubChem CID 123862980) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene.

Molecular Properties

Compound Name6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene
PubChem CID123862980
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene
SMILESCc1c(OC2CCC(C)CC2)ccc2cc(Br)ccc12
InChIInChI=1S/C18H21BrO/c1-12-3-7-16(8-4-12)20-18-10-5-14-11-15(19)6-9-17(14)13(18)2/h5-6,9-12,16H,3-4,7-8H2,1-2H3
InChIKeyPEGKRXHLERRGRZ-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene?
The IUPAC name of 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene (CID 123862980) is 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene.
What is the SMILES notation for 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene?
The canonical SMILES for 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene is Cc1c(OC2CCC(C)CC2)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene?
The InChIKey is PEGKRXHLERRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-12-3-7-16(8-4-12)20-18-10-5-14-11-15(19)6-9-17(14)13(18)2/h5-6,9-12,16H,3-4,7-8H2,1-2H3.
What are the key properties of 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene?
6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene has a molecular weight of 333.27 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene is sourced from PubChem (CID 123862980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).