2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid

C25H26O4 — CID 159395535

IUPAC2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(CCc2ccc(OCc3ccccc3)cc2)c1)C(=O)O
InChIInChI=1S/C25H26O4/c1-25(2,24(26)27)29-23-10-6-9-20(17-23)12-11-19-13-15-22(16-14-19)28-18-21-7-4-3-5-8-21/h3-10,13-17H,11-12,18H2,1-2H3,(H,26,27)
InChIKeyHYQJWDDONLIRRH-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.29
Rot. Bonds9

About 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid

2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid (PubChem CID 159395535) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid
PubChem CID159395535
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(CCc2ccc(OCc3ccccc3)cc2)c1)C(=O)O
InChIInChI=1S/C25H26O4/c1-25(2,24(26)27)29-23-10-6-9-20(17-23)12-11-19-13-15-22(16-14-19)28-18-21-7-4-3-5-8-21/h3-10,13-17H,11-12,18H2,1-2H3,(H,26,27)
InChIKeyHYQJWDDONLIRRH-UHFFFAOYSA-N
XLogP5.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[3-[3-(4-methylsulfonyloxyphenoxy)propyl]phenoxy]propanoic acid
CID 58857341
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
2-[3-[[4-[(3,5-difluorophenyl)methoxy]phenyl]methylamino]phenoxy]-2-methylpropanoic acid
CID 139501077
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid
CID 20571883
2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid
CID 21084276
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
[2-methyl-4-(4-phenylmethoxyphenyl)butan-2-yl] formate
CID 54148665
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid
CID 10094051
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid (CID 159395535) is 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid is CC(C)(Oc1cccc(CCc2ccc(OCc3ccccc3)cc2)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid?
The InChIKey is HYQJWDDONLIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-25(2,24(26)27)29-23-10-6-9-20(17-23)12-11-19-13-15-22(16-14-19)28-18-21-7-4-3-5-8-21/h3-10,13-17H,11-12,18H2,1-2H3,(H,26,27).
What are the key properties of 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid?
2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid is sourced from PubChem (CID 159395535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).