1-heptylsulfanyl-2-methoxynaphthalene

C18H24OS — CID 10755818

IUPAC1-heptylsulfanyl-2-methoxynaphthalene
SMILESCCCCCCCSc1c(OC)ccc2ccccc12
InChIInChI=1S/C18H24OS/c1-3-4-5-6-9-14-20-18-16-11-8-7-10-15(16)12-13-17(18)19-2/h7-8,10-13H,3-6,9,14H2,1-2H3
InChIKeyVYDHXPYSPOLXAN-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.91
Rot. Bonds8

About 1-heptylsulfanyl-2-methoxynaphthalene

1-heptylsulfanyl-2-methoxynaphthalene (PubChem CID 10755818) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-heptylsulfanyl-2-methoxynaphthalene.

Molecular Properties

Compound Name1-heptylsulfanyl-2-methoxynaphthalene
PubChem CID10755818
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name1-heptylsulfanyl-2-methoxynaphthalene
SMILESCCCCCCCSc1c(OC)ccc2ccccc12
InChIInChI=1S/C18H24OS/c1-3-4-5-6-9-14-20-18-16-11-8-7-10-15(16)12-13-17(18)19-2/h7-8,10-13H,3-6,9,14H2,1-2H3
InChIKeyVYDHXPYSPOLXAN-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptylsulfanyl-2-methoxynaphthalene?
The IUPAC name of 1-heptylsulfanyl-2-methoxynaphthalene (CID 10755818) is 1-heptylsulfanyl-2-methoxynaphthalene.
What is the SMILES notation for 1-heptylsulfanyl-2-methoxynaphthalene?
The canonical SMILES for 1-heptylsulfanyl-2-methoxynaphthalene is CCCCCCCSc1c(OC)ccc2ccccc12.
What is the InChIKey of 1-heptylsulfanyl-2-methoxynaphthalene?
The InChIKey is VYDHXPYSPOLXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-3-4-5-6-9-14-20-18-16-11-8-7-10-15(16)12-13-17(18)19-2/h7-8,10-13H,3-6,9,14H2,1-2H3.
What are the key properties of 1-heptylsulfanyl-2-methoxynaphthalene?
1-heptylsulfanyl-2-methoxynaphthalene has a molecular weight of 288.46 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylsulfanyl-2-methoxynaphthalene is sourced from PubChem (CID 10755818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).