1-cyclohexyloxy-5-methylsulfonylnaphthalene

C17H20O3S — CID 90350345

IUPAC1-cyclohexyloxy-5-methylsulfonylnaphthalene
SMILESCS(=O)(=O)c1cccc2c(OC3CCCCC3)cccc12
InChIInChI=1S/C17H20O3S/c1-21(18,19)17-12-6-9-14-15(17)10-5-11-16(14)20-13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3
InChIKeyAIZRLDBZEATZNB-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.95
Rot. Bonds3

About 1-cyclohexyloxy-5-methylsulfonylnaphthalene

1-cyclohexyloxy-5-methylsulfonylnaphthalene (PubChem CID 90350345) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-cyclohexyloxy-5-methylsulfonylnaphthalene.

Molecular Properties

Compound Name1-cyclohexyloxy-5-methylsulfonylnaphthalene
PubChem CID90350345
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name1-cyclohexyloxy-5-methylsulfonylnaphthalene
SMILESCS(=O)(=O)c1cccc2c(OC3CCCCC3)cccc12
InChIInChI=1S/C17H20O3S/c1-21(18,19)17-12-6-9-14-15(17)10-5-11-16(14)20-13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3
InChIKeyAIZRLDBZEATZNB-UHFFFAOYSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-cyclohexyloxynaphthalene-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-5-methylsulfonylnaphthalene?
The IUPAC name of 1-cyclohexyloxy-5-methylsulfonylnaphthalene (CID 90350345) is 1-cyclohexyloxy-5-methylsulfonylnaphthalene.
What is the SMILES notation for 1-cyclohexyloxy-5-methylsulfonylnaphthalene?
The canonical SMILES for 1-cyclohexyloxy-5-methylsulfonylnaphthalene is CS(=O)(=O)c1cccc2c(OC3CCCCC3)cccc12.
What is the InChIKey of 1-cyclohexyloxy-5-methylsulfonylnaphthalene?
The InChIKey is AIZRLDBZEATZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-21(18,19)17-12-6-9-14-15(17)10-5-11-16(14)20-13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclohexyloxy-5-methylsulfonylnaphthalene?
1-cyclohexyloxy-5-methylsulfonylnaphthalene has a molecular weight of 304.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-5-methylsulfonylnaphthalene is sourced from PubChem (CID 90350345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).