2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid

C18H20O4 — CID 10924570

IUPAC2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H20O4/c1-2-21-17(18(19)20)12-14-8-10-16(11-9-14)22-13-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,19,20)
InChIKeyHWFGXLBTBXBMPO-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.30
Rot. Bonds8

About 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid

2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 10924570) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID10924570
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H20O4/c1-2-21-17(18(19)20)12-14-8-10-16(11-9-14)22-13-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,19,20)
InChIKeyHWFGXLBTBXBMPO-UHFFFAOYSA-N
XLogP3.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid (CID 10924570) is 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid is CCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is HWFGXLBTBXBMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-2-21-17(18(19)20)12-14-8-10-16(11-9-14)22-13-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,19,20).
What are the key properties of 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 10924570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).