1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol

C18H16OS — CID 163902949

IUPAC1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol
SMILESCc1ccc(Sc2c(O)ccc3ccccc23)c(C)c1
InChIInChI=1S/C18H16OS/c1-12-7-10-17(13(2)11-12)20-18-15-6-4-3-5-14(15)8-9-16(18)19/h3-11,19H,1-2H3
InChIKeyQLLUVGKMWKIUMY-UHFFFAOYSA-N
MW280.39 g/mol
LogP5.31
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol

1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol (PubChem CID 163902949) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol
PubChem CID163902949
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol
SMILESCc1ccc(Sc2c(O)ccc3ccccc23)c(C)c1
InChIInChI=1S/C18H16OS/c1-12-7-10-17(13(2)11-12)20-18-15-6-4-3-5-14(15)8-9-16(18)19/h3-11,19H,1-2H3
InChIKeyQLLUVGKMWKIUMY-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol (CID 163902949) is 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol is Cc1ccc(Sc2c(O)ccc3ccccc23)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol?
The InChIKey is QLLUVGKMWKIUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-12-7-10-17(13(2)11-12)20-18-15-6-4-3-5-14(15)8-9-16(18)19/h3-11,19H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol?
1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol has a molecular weight of 280.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol is sourced from PubChem (CID 163902949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).