2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol

C18H16OS — CID 15617847

IUPAC2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol
SMILESCSc1ccc(Cc2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H16OS/c1-20-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)18(15)19/h2-11,19H,12H2,1H3
InChIKeyHKPPQEBAMBNZNG-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.86
Rot. Bonds3

About 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol

2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol (PubChem CID 15617847) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol
PubChem CID15617847
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol
SMILESCSc1ccc(Cc2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H16OS/c1-20-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)18(15)19/h2-11,19H,12H2,1H3
InChIKeyHKPPQEBAMBNZNG-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol (CID 15617847) is 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol is CSc1ccc(Cc2ccc3ccccc3c2O)cc1.
What is the InChIKey of 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol?
The InChIKey is HKPPQEBAMBNZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-20-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)18(15)19/h2-11,19H,12H2,1H3.
What are the key properties of 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol?
2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol has a molecular weight of 280.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfanylphenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 15617847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).