(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid

C24H22O6 — CID 58822877

IUPAC(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid
SMILESCO[C@@H](Cc1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C24H22O6/c1-28-23(24(26)27)15-17-7-9-18(10-8-17)22(25)16-29-19-11-13-21(14-12-19)30-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyGSUOSXJVJUZJAV-QHCPKHFHSA-N
MW406.43 g/mol
LogP4.38
Rot. Bonds10

About (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid

(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid (PubChem CID 58822877) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid
PubChem CID58822877
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid
SMILESCO[C@@H](Cc1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C24H22O6/c1-28-23(24(26)27)15-17-7-9-18(10-8-17)22(25)16-29-19-11-13-21(14-12-19)30-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyGSUOSXJVJUZJAV-QHCPKHFHSA-N
XLogP4.38
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 3025998
(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 69422745
(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid
CID 71207526
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-methoxy-3-[4-[4-(4-phenylphenoxy)butoxy]phenyl]propanoic acid
CID 18443550
2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid
CID 23132719
(2S)-2-methoxy-3-[4-[3-(4-methoxycarbonylphenoxy)propoxy]phenyl]propanoic acid
CID 69423428
(2S)-3-[4-(2-hydroxyethoxy)phenyl]-2-methoxypropanoic acid
CID 69421095
ethyl 2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
CID 69422526
(2S)-2-methoxy-3-[4-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]propanoic acid
CID 58646642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid?
The IUPAC name of (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid (CID 58822877) is (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid is CO[C@@H](Cc1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid?
The InChIKey is GSUOSXJVJUZJAV-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22O6/c1-28-23(24(26)27)15-17-7-9-18(10-8-17)22(25)16-29-19-11-13-21(14-12-19)30-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,26,27)/t23-/m0/s1.
What are the key properties of (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid?
(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid has a molecular weight of 406.43 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid is sourced from PubChem (CID 58822877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).