4-octylsulfanylnaphthalen-1-ol

C18H24OS — CID 18951820

IUPAC4-octylsulfanylnaphthalen-1-ol
SMILESCCCCCCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C18H24OS/c1-2-3-4-5-6-9-14-20-18-13-12-17(19)15-10-7-8-11-16(15)18/h7-8,10-13,19H,2-6,9,14H2,1H3
InChIKeyDLALTSJJOATUMG-UHFFFAOYSA-N
MW288.46 g/mol
LogP6.00
Rot. Bonds8

About 4-octylsulfanylnaphthalen-1-ol

4-octylsulfanylnaphthalen-1-ol (PubChem CID 18951820) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-octylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-octylsulfanylnaphthalen-1-ol
PubChem CID18951820
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name4-octylsulfanylnaphthalen-1-ol
SMILESCCCCCCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C18H24OS/c1-2-3-4-5-6-9-14-20-18-13-12-17(19)15-10-7-8-11-16(15)18/h7-8,10-13,19H,2-6,9,14H2,1H3
InChIKeyDLALTSJJOATUMG-UHFFFAOYSA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
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 4-octylsulfanylnaphthalen-1-ol?
The IUPAC name of 4-octylsulfanylnaphthalen-1-ol (CID 18951820) is 4-octylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-octylsulfanylnaphthalen-1-ol?
The canonical SMILES for 4-octylsulfanylnaphthalen-1-ol is CCCCCCCCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-octylsulfanylnaphthalen-1-ol?
The InChIKey is DLALTSJJOATUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-2-3-4-5-6-9-14-20-18-13-12-17(19)15-10-7-8-11-16(15)18/h7-8,10-13,19H,2-6,9,14H2,1H3.
What are the key properties of 4-octylsulfanylnaphthalen-1-ol?
4-octylsulfanylnaphthalen-1-ol has a molecular weight of 288.46 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 18951820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).