2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid

C15H14O2S — CID 10706368

IUPAC2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
SMILESCc1ccc(Sc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C15H14O2S/c1-11-6-8-13(9-7-11)18-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHMVVYKPBBHHBHJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.77
Rot. Bonds4

About 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid

2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid (PubChem CID 10706368) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
PubChem CID10706368
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
SMILESCc1ccc(Sc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C15H14O2S/c1-11-6-8-13(9-7-11)18-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHMVVYKPBBHHBHJ-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
CID 12539105
2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
CID 23967352
2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid
CID 71364363
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
(2S)-2-(4-methylphenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549442
N-hydroxy-2-[2-[4-(4-methylsulfanylphenyl)phenyl]sulfanylphenyl]acetamide
CID 24944979
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
CID 15125729
methyl 2-[2-(4-hydroxyphenyl)sulfanylphenyl]acetate
CID 18365028
2-(2-propan-2-ylsulfanylphenyl)acetic acid
CID 12533893
2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol
CID 69009203
2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
CID 12742097
(2R)-2-bromo-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100523970

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid (CID 10706368) is 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid is Cc1ccc(Sc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid?
The InChIKey is HMVVYKPBBHHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-11-6-8-13(9-7-11)18-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid?
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid has a molecular weight of 258.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 10706368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).