2-(methylsulfinylmethyl)-6-phenylphenol

C14H14O2S — CID 101208758

IUPAC2-(methylsulfinylmethyl)-6-phenylphenol
SMILESCS(=O)Cc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C14H14O2S/c1-17(16)10-12-8-5-9-13(14(12)15)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyQDMGDICVJJIPSU-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.94
Rot. Bonds3

About 2-(methylsulfinylmethyl)-6-phenylphenol

2-(methylsulfinylmethyl)-6-phenylphenol (PubChem CID 101208758) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(methylsulfinylmethyl)-6-phenylphenol.

Molecular Properties

Compound Name2-(methylsulfinylmethyl)-6-phenylphenol
PubChem CID101208758
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(methylsulfinylmethyl)-6-phenylphenol
SMILESCS(=O)Cc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C14H14O2S/c1-17(16)10-12-8-5-9-13(14(12)15)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyQDMGDICVJJIPSU-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
2-ethyl-6-(4-ethylphenyl)phenol
CID 101302359
2-methyl-6-phenylphenol
CID 12592481
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
(2-hydroxy-3-phenylphenyl)methyl-trimethylazanium;methyl sulfate
CID 131887916
bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
CID 134902847
4-[3-(3-bromo-4-phenylphenyl)-2-hydroxyphenyl]-2-methylbutanoic acid
CID 174442092
2-[[2,6-di(propan-2-yl)anilino]methyl]-6-phenylphenol
CID 174772916
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-6-phenylphenol
CID 59202633

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfinylmethyl)-6-phenylphenol?
The IUPAC name of 2-(methylsulfinylmethyl)-6-phenylphenol (CID 101208758) is 2-(methylsulfinylmethyl)-6-phenylphenol.
What is the SMILES notation for 2-(methylsulfinylmethyl)-6-phenylphenol?
The canonical SMILES for 2-(methylsulfinylmethyl)-6-phenylphenol is CS(=O)Cc1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-(methylsulfinylmethyl)-6-phenylphenol?
The InChIKey is QDMGDICVJJIPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-17(16)10-12-8-5-9-13(14(12)15)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3.
What are the key properties of 2-(methylsulfinylmethyl)-6-phenylphenol?
2-(methylsulfinylmethyl)-6-phenylphenol has a molecular weight of 246.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfinylmethyl)-6-phenylphenol is sourced from PubChem (CID 101208758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).