2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid

C24H20O4 — CID 142194155

IUPAC2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid
SMILESO=C(O)C(O)Cc1ccc(C#CCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20O4/c25-23(24(26)27)17-19-10-8-18(9-11-19)5-4-16-28-22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-3,6-15,23,25H,16-17H2,(H,26,27)
InChIKeyKYQCTMIEIGVKGZ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.77
Rot. Bonds6

About 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid

2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid (PubChem CID 142194155) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid
PubChem CID142194155
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid
SMILESO=C(O)C(O)Cc1ccc(C#CCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20O4/c25-23(24(26)27)17-19-10-8-18(9-11-19)5-4-16-28-22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-3,6-15,23,25H,16-17H2,(H,26,27)
InChIKeyKYQCTMIEIGVKGZ-UHFFFAOYSA-N
XLogP3.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[3-[4-(2-carboxy-2-hydroxyethyl)phenoxy]propoxy]phenyl]-2-hydroxypropanoic acid
CID 141111710
1-[4-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62338863
(2S)-3-[4-[3-[4-(N-hydroxy-C-phenylcarbonimidoyl)phenoxy]prop-1-ynyl]phenyl]-2-methoxypropanoic acid
CID 86596241
ethyl (2S)-2-methoxy-3-[4-[4-(4-phenylphenoxy)but-1-ynyl]phenyl]propanoate
CID 58822584
2-[3-[4-[3-(4-ethoxyphenyl)prop-2-ynoxy]phenyl]phenyl]acetic acid
CID 59219336
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
(2S)-2-hydroxy-3-[3-(2-hydroxyphenyl)-4-[3-(4-phenylphenoxy)propoxy]phenyl]propanoic acid
CID 142194230
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
2-[3-[2-[3-(4-phenylphenyl)prop-2-ynoxy]phenoxy]phenyl]acetic acid
CID 23122371
(2S)-2-hydroxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
CID 11223055
2-methoxy-3-[4-[4-(4-phenylphenoxy)butoxy]phenyl]propanoic acid
CID 18443550

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid?
The IUPAC name of 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid (CID 142194155) is 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid is O=C(O)C(O)Cc1ccc(C#CCOc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid?
The InChIKey is KYQCTMIEIGVKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c25-23(24(26)27)17-19-10-8-18(9-11-19)5-4-16-28-22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-3,6-15,23,25H,16-17H2,(H,26,27).
What are the key properties of 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid?
2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid has a molecular weight of 372.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[4-[3-(4-phenylphenoxy)prop-1-ynyl]phenyl]propanoic acid is sourced from PubChem (CID 142194155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).