(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid

C25H24O5 — CID 71207526

IUPAC(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C25H24O5/c1-29-23(25(27)28)17-19-9-7-18(8-10-19)15-16-30-22-13-11-21(12-14-22)24(26)20-5-3-2-4-6-20/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m0/s1
InChIKeyRHGFVTZSJPIPBM-QHCPKHFHSA-N
MW404.46 g/mol
LogP4.18
Rot. Bonds10

About (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid

(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid (PubChem CID 71207526) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid
PubChem CID71207526
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C25H24O5/c1-29-23(25(27)28)17-19-9-7-18(8-10-19)15-16-30-22-13-11-21(12-14-22)24(26)20-5-3-2-4-6-20/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m0/s1
InChIKeyRHGFVTZSJPIPBM-QHCPKHFHSA-N
XLogP4.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 3025998
2-methoxy-3-[4-[4-(4-phenylphenoxy)butoxy]phenyl]propanoic acid
CID 18443550
(2S)-3-[4-(2-hydroxyethoxy)phenyl]-2-methoxypropanoic acid
CID 69421095
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
(2S)-2-methoxy-3-[4-[3-(4-methoxycarbonylphenoxy)propoxy]phenyl]propanoic acid
CID 69423428
(2S)-2-methoxy-3-[4-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]phenyl]propanoic acid
CID 71207534
(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid
CID 58822877
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-[2-(4-phenylmethoxyphenyl)ethylsulfanyl]propanoic acid
CID 154176759
3-[4-[3-[4-(4-fluorobenzoyl)phenoxy]propoxy]-3-methoxyphenyl]-2-methoxypropanoic acid
CID 18443619
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid?
The IUPAC name of (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid (CID 71207526) is (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid.
What is the SMILES notation for (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid?
The canonical SMILES for (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid is CO[C@@H](Cc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid?
The InChIKey is RHGFVTZSJPIPBM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24O5/c1-29-23(25(27)28)17-19-9-7-18(8-10-19)15-16-30-22-13-11-21(12-14-22)24(26)20-5-3-2-4-6-20/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m0/s1.
What are the key properties of (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid?
(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid has a molecular weight of 404.46 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid is sourced from PubChem (CID 71207526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).