2-cyclopentyloxy-6-hydroxysulfanylnaphthalene

C15H16O2S — CID 135175413

IUPAC2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
SMILESOSc1ccc2cc(OC3CCCC3)ccc2c1
InChIInChI=1S/C15H16O2S/c16-18-15-8-6-11-9-14(7-5-12(11)10-15)17-13-3-1-2-4-13/h5-10,13,16H,1-4H2
InChIKeyRAFGPJKYVJRIRA-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.73
Rot. Bonds3

About 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene

2-cyclopentyloxy-6-hydroxysulfanylnaphthalene (PubChem CID 135175413) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene.

Molecular Properties

Compound Name2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
PubChem CID135175413
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
SMILESOSc1ccc2cc(OC3CCCC3)ccc2c1
InChIInChI=1S/C15H16O2S/c16-18-15-8-6-11-9-14(7-5-12(11)10-15)17-13-3-1-2-4-13/h5-10,13,16H,1-4H2
InChIKeyRAFGPJKYVJRIRA-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
(6-cyclobutyloxynaphthalen-2-yl)boronic acid
CID 140913385
1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde
CID 142599058
5-cycloheptyloxy-1H-indole
CID 82923976
2,5-dicyclohexyloxyphenol
CID 139941916
4-cycloheptyloxyphenol
CID 67178425
1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene
CID 175026000
4-cyclopentyloxybenzaldehyde
CID 3152724
(4-cyclopentyloxy-2-methylphenyl)boronic acid
CID 83140342
1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine
CID 142599229
1-bromo-4-cyclopentyloxybenzene
CID 22599958
CID 91508162
CID 91508162

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene?
The IUPAC name of 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene (CID 135175413) is 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene.
What is the SMILES notation for 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene?
The canonical SMILES for 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene is OSc1ccc2cc(OC3CCCC3)ccc2c1.
What is the InChIKey of 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene?
The InChIKey is RAFGPJKYVJRIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-18-15-8-6-11-9-14(7-5-12(11)10-15)17-13-3-1-2-4-13/h5-10,13,16H,1-4H2.
What are the key properties of 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene?
2-cyclopentyloxy-6-hydroxysulfanylnaphthalene has a molecular weight of 260.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-6-hydroxysulfanylnaphthalene is sourced from PubChem (CID 135175413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).