2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid

C21H24O7 — CID 141111717

IUPAC2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(CCOc2ccc(CC(O)C(=O)O)cc2)cc1)C(=O)O
InChIInChI=1S/C21H24O7/c1-21(2,20(25)26)28-17-9-3-14(4-10-17)11-12-27-16-7-5-15(6-8-16)13-18(22)19(23)24/h3-10,18,22H,11-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyRSEPYZRRZZSFAB-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.54
Rot. Bonds10

About 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid

2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid (PubChem CID 141111717) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
PubChem CID141111717
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(CCOc2ccc(CC(O)C(=O)O)cc2)cc1)C(=O)O
InChIInChI=1S/C21H24O7/c1-21(2,20(25)26)28-17-9-3-14(4-10-17)11-12-27-16-7-5-15(6-8-16)13-18(22)19(23)24/h3-10,18,22H,11-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyRSEPYZRRZZSFAB-UHFFFAOYSA-N
XLogP2.54
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
CID 141111736
3-[4-[3-[4-(2-carboxy-2-hydroxyethyl)phenoxy]propoxy]phenyl]-2-hydroxypropanoic acid
CID 141111710
2-[4-[2-[4-[(4-chlorophenyl)diazenyl]phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
CID 155535303
2-[4-[2-[4-[(4-cyanophenyl)diazenyl]phenyl]ethoxy]phenoxy]-2-methylpropanoic acid
CID 155554421
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503
(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
CID 174172244
2-[4-[2-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyethyl]phenoxy]-2-methylpropanoic acid
CID 24754074
2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 70806396
ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
CID 142975502
2-methyl-2-[4-[3-(4-methylsulfonyloxyphenoxy)propoxy]phenoxy]propanoic acid
CID 11169347
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-[4-[2-(3,5-dimethylanilino)ethyl]phenoxy]-2-methylpropanoic acid
CID 67811284

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid (CID 141111717) is 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(CCOc2ccc(CC(O)C(=O)O)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is RSEPYZRRZZSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-21(2,20(25)26)28-17-9-3-14(4-10-17)11-12-27-16-7-5-15(6-8-16)13-18(22)19(23)24/h3-10,18,22H,11-13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid?
2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 388.42 g/mol, XLogP of 2.54, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 141111717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).