2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid

C17H18O2S — CID 22681959

IUPAC2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid
SMILESCC(C)c1ccc(SC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18O2S/c1-12(2)13-8-10-15(11-9-13)20-16(17(18)19)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,18,19)
InChIKeyWXOIHKXGGSBFKT-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.73
Rot. Bonds5

About 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid

2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid (PubChem CID 22681959) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid
PubChem CID22681959
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid
SMILESCC(C)c1ccc(SC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18O2S/c1-12(2)13-8-10-15(11-9-13)20-16(17(18)19)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,18,19)
InChIKeyWXOIHKXGGSBFKT-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid?
The IUPAC name of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid (CID 22681959) is 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid.
What is the SMILES notation for 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid?
The canonical SMILES for 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid is CC(C)c1ccc(SC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid?
The InChIKey is WXOIHKXGGSBFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12(2)13-8-10-15(11-9-13)20-16(17(18)19)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,18,19).
What are the key properties of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid?
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid has a molecular weight of 286.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylacetic acid is sourced from PubChem (CID 22681959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).