(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid

C23H22O3 — CID 100530411

IUPAC(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCCc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1
InChIInChI=1S/C23H22O3/c1-2-17-8-10-18(11-9-17)16-22(23(24)25)26-21-14-12-20(13-15-21)19-6-4-3-5-7-19/h3-15,22H,2,16H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyMPKWHDKSQRQFRS-JOCHJYFZSA-N
MW346.43 g/mol
LogP4.99
Rot. Bonds7

About (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid

(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid (PubChem CID 100530411) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
PubChem CID100530411
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCCc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1
InChIInChI=1S/C23H22O3/c1-2-17-8-10-18(11-9-17)16-22(23(24)25)26-21-14-12-20(13-15-21)19-6-4-3-5-7-19/h3-15,22H,2,16H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyMPKWHDKSQRQFRS-JOCHJYFZSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100524579
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
(2S)-3-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100527919
3-(3-bromophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245412
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid (CID 100530411) is (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid is CCc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The InChIKey is MPKWHDKSQRQFRS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22O3/c1-2-17-8-10-18(11-9-17)16-22(23(24)25)26-21-14-12-20(13-15-21)19-6-4-3-5-7-19/h3-15,22H,2,16H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid?
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid is sourced from PubChem (CID 100530411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).