(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid

C21H18O3 — CID 11483970

IUPAC(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
InChIKeyTZTPJJNNACUQQR-FQEVSTJZSA-N
MW318.37 g/mol
LogP4.43
Rot. Bonds6

About (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid

(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid (PubChem CID 11483970) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid
PubChem CID11483970
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
InChIKeyTZTPJJNNACUQQR-FQEVSTJZSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid (CID 11483970) is (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid is O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid?
The InChIKey is TZTPJJNNACUQQR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid?
(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid has a molecular weight of 318.37 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid is sourced from PubChem (CID 11483970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).