2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid

C20H16O3S — CID 15125729

IUPAC2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16O3S/c21-20(22)13-15-7-4-5-12-19(15)24-18-11-6-10-17(14-18)23-16-8-2-1-3-9-16/h1-12,14H,13H2,(H,21,22)
InChIKeyXDYGLORYXJUDIC-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.26
Rot. Bonds6

About 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid

2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid (PubChem CID 15125729) has the molecular formula C20H16O3S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
PubChem CID15125729
Molecular FormulaC20H16O3S
Molecular Weight336.41 g/mol
Exact Mass336.08
IUPAC Name2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16O3S/c21-20(22)13-15-7-4-5-12-19(15)24-18-11-6-10-17(14-18)23-16-8-2-1-3-9-16/h1-12,14H,13H2,(H,21,22)
InChIKeyXDYGLORYXJUDIC-UHFFFAOYSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetate
CID 15125730
2-[2-[3-(3-chloropropoxy)phenyl]sulfanylphenyl]acetic acid
CID 54067504
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
2-(3-phenoxyphenyl)sulfanylacetyl chloride
CID 102269426
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
CID 12539105
4-[3-[3-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid
CID 18419929
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
CID 23967352
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid
CID 71364363
2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
CID 12742097

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid (CID 15125729) is 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid is O=C(O)Cc1ccccc1Sc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid?
The InChIKey is XDYGLORYXJUDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3S/c21-20(22)13-15-7-4-5-12-19(15)24-18-11-6-10-17(14-18)23-16-8-2-1-3-9-16/h1-12,14H,13H2,(H,21,22).
What are the key properties of 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid?
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid has a molecular weight of 336.41 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 15125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).