(2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone

C14H12O2S — CID 68643629

IUPAC(2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccccc1O
InChIInChI=1S/C14H12O2S/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h2-9,15H,1H3
InChIKeyBZEFACGKEJHVKV-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.35
Rot. Bonds3

About (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone

(2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone (PubChem CID 68643629) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone
PubChem CID68643629
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name(2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccccc1O
InChIInChI=1S/C14H12O2S/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h2-9,15H,1H3
InChIKeyBZEFACGKEJHVKV-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone (CID 68643629) is (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is BZEFACGKEJHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h2-9,15H,1H3.
What are the key properties of (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone?
(2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 244.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 68643629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).