2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid

C19H22O4 — CID 72556449

IUPAC2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22O4/c1-2-22-18(19(20)21)14-16-8-10-17(11-9-16)23-13-12-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,20,21)
InChIKeyRNHGUNXNFIKLGE-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.34
Rot. Bonds9

About 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid

2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid (PubChem CID 72556449) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
PubChem CID72556449
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22O4/c1-2-22-18(19(20)21)14-16-8-10-17(11-9-16)23-13-12-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,20,21)
InChIKeyRNHGUNXNFIKLGE-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
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2-ethoxy-3-[4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]propanoic acid
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[4-[3-[4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy]propyl]phenyl]azanium chloride
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2-ethoxy-3-[4-[2-[2-ethylbutyl(2-phenylethoxycarbonyl)amino]ethoxy]phenyl]propanoic acid
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(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
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3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
(2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid (CID 72556449) is 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid is CCOC(Cc1ccc(OCCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
The InChIKey is RNHGUNXNFIKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-22-18(19(20)21)14-16-8-10-17(11-9-16)23-13-12-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,20,21).
What are the key properties of 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 72556449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).