3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid

C23H30O5 — CID 91316074

IUPAC3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid
SMILESCC(C)OC(C(=O)O)C(OCCOc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H30O5/c1-16(2)18-10-12-20(13-11-18)26-14-15-27-21(19-8-6-5-7-9-19)22(23(24)25)28-17(3)4/h5-13,16-17,21-22H,14-15H2,1-4H3,(H,24,25)
InChIKeyNYBVNGDZRJJYNT-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.82
Rot. Bonds11

About 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid

3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid (PubChem CID 91316074) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid
PubChem CID91316074
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid
SMILESCC(C)OC(C(=O)O)C(OCCOc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H30O5/c1-16(2)18-10-12-20(13-11-18)26-14-15-27-21(19-8-6-5-7-9-19)22(23(24)25)28-17(3)4/h5-13,16-17,21-22H,14-15H2,1-4H3,(H,24,25)
InChIKeyNYBVNGDZRJJYNT-UHFFFAOYSA-N
XLogP4.82
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-phenoxyethoxy(phenyl)methyl]butanoic acid
CID 91113371
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
cumene;2-methoxyethoxybenzene;2-phenoxyethanol
CID 160957770
2-[2-(4-propan-2-ylphenoxy)ethylsulfinyl]propanoic acid
CID 123103957
2-[2-(4-propan-2-ylphenoxy)ethylperoxy]benzoic acid
CID 22365609
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
2-(methylamino)-4-(4-propan-2-ylphenoxy)butanoic acid
CID 63038968
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4952843
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid?
The IUPAC name of 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid (CID 91316074) is 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid.
What is the SMILES notation for 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid?
The canonical SMILES for 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid is CC(C)OC(C(=O)O)C(OCCOc1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid?
The InChIKey is NYBVNGDZRJJYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-16(2)18-10-12-20(13-11-18)26-14-15-27-21(19-8-6-5-7-9-19)22(23(24)25)28-17(3)4/h5-13,16-17,21-22H,14-15H2,1-4H3,(H,24,25).
What are the key properties of 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid?
3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid has a molecular weight of 386.49 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-yloxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]propanoic acid is sourced from PubChem (CID 91316074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).