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

Analyze 1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol
CID 71578645
1-(3-chlorophenyl)sulfanylnaphthalen-2-ol
CID 172795300
1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol
CID 122391572
[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine
CID 107111264
1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
CID 124519274
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
2,4-dimethylphenol
CID 67713801
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
2-(2,4-dimethylphenyl)sulfanyl-3,4-difluoroaniline
CID 55085738
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861

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).