(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid

C15H14O3S — CID 95909198

IUPAC(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccccc1)[S@@](=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c16-15(17)11-14(12-7-3-1-4-8-12)19(18)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)/t14-,19+/m1/s1
InChIKeyVSLYGZHYHJSLAX-KUHUBIRLSA-N
MW274.34 g/mol
LogP3.01
Rot. Bonds5

About (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid

(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid (PubChem CID 95909198) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid
PubChem CID95909198
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccccc1)[S@@](=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c16-15(17)11-14(12-7-3-1-4-8-12)19(18)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)/t14-,19+/m1/s1
InChIKeyVSLYGZHYHJSLAX-KUHUBIRLSA-N
XLogP3.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid?
The IUPAC name of (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid (CID 95909198) is (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid.
What is the SMILES notation for (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid?
The canonical SMILES for (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid is O=C(O)C[C@H](c1ccccc1)[S@@](=O)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid?
The InChIKey is VSLYGZHYHJSLAX-KUHUBIRLSA-N. The full InChI is InChI=1S/C15H14O3S/c16-15(17)11-14(12-7-3-1-4-8-12)19(18)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)/t14-,19+/m1/s1.
What are the key properties of (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid?
(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid has a molecular weight of 274.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid is sourced from PubChem (CID 95909198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).