2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid

C24H24O4 — CID 21084276

IUPAC2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(OCc2ccccc2)cc1)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C24H24O4/c1-2-24(23(25)26,28-22-11-7-4-8-12-22)17-19-13-15-21(16-14-19)27-18-20-9-5-3-6-10-20/h3-16H,2,17-18H2,1H3,(H,25,26)
InChIKeyQSYDPLXVOZLGTO-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.12
Rot. Bonds9

About 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid

2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid (PubChem CID 21084276) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid
PubChem CID21084276
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(OCc2ccccc2)cc1)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C24H24O4/c1-2-24(23(25)26,28-22-11-7-4-8-12-22)17-19-13-15-21(16-14-19)27-18-20-9-5-3-6-10-20/h3-16H,2,17-18H2,1H3,(H,25,26)
InChIKeyQSYDPLXVOZLGTO-UHFFFAOYSA-N
XLogP5.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-3-oxo-2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 141009558
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
2-(4-cyclohexylphenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21084282
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
2-[(4-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)butanoic acid
CID 10760041
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid
CID 159395535
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
4-phenylmethoxybenzoic acid
CID 68896574
diethyl 2-[(4-phenylmethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)propanedioate
CID 18625725

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid (CID 21084276) is 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid is CCC(Cc1ccc(OCc2ccccc2)cc1)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid?
The InChIKey is QSYDPLXVOZLGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-2-24(23(25)26,28-22-11-7-4-8-12-22)17-19-13-15-21(16-14-19)27-18-20-9-5-3-6-10-20/h3-16H,2,17-18H2,1H3,(H,25,26).
What are the key properties of 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid?
2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid has a molecular weight of 376.45 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 21084276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).