4-benzylsulfanylnaphthalen-1-ol

C17H14OS — CID 18951823

IUPAC4-benzylsulfanylnaphthalen-1-ol
SMILESOc1ccc(SCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H14OS/c18-16-10-11-17(15-9-5-4-8-14(15)16)19-12-13-6-2-1-3-7-13/h1-11,18H,12H2
InChIKeyWKBNMEXBTHLNHC-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.84
Rot. Bonds3

About 4-benzylsulfanylnaphthalen-1-ol

4-benzylsulfanylnaphthalen-1-ol (PubChem CID 18951823) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-benzylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-benzylsulfanylnaphthalen-1-ol
PubChem CID18951823
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name4-benzylsulfanylnaphthalen-1-ol
SMILESOc1ccc(SCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H14OS/c18-16-10-11-17(15-9-5-4-8-14(15)16)19-12-13-6-2-1-3-7-13/h1-11,18H,12H2
InChIKeyWKBNMEXBTHLNHC-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanylnaphthalen-1-ol?
The IUPAC name of 4-benzylsulfanylnaphthalen-1-ol (CID 18951823) is 4-benzylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-benzylsulfanylnaphthalen-1-ol?
The canonical SMILES for 4-benzylsulfanylnaphthalen-1-ol is Oc1ccc(SCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-benzylsulfanylnaphthalen-1-ol?
The InChIKey is WKBNMEXBTHLNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c18-16-10-11-17(15-9-5-4-8-14(15)16)19-12-13-6-2-1-3-7-13/h1-11,18H,12H2.
What are the key properties of 4-benzylsulfanylnaphthalen-1-ol?
4-benzylsulfanylnaphthalen-1-ol has a molecular weight of 266.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 18951823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).