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

C20H24O5 — CID 69176081

IUPAC2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCOCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H24O5/c1-2-24-19(20(21)22)14-16-8-10-18(11-9-16)25-13-12-23-15-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3,(H,21,22)
InChIKeyDVBAZXXKLYABNV-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.31
Rot. Bonds11

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

2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid (PubChem CID 69176081) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
PubChem CID69176081
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCOCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H24O5/c1-2-24-19(20(21)22)14-16-8-10-18(11-9-16)25-13-12-23-15-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3,(H,21,22)
InChIKeyDVBAZXXKLYABNV-UHFFFAOYSA-N
XLogP3.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.31
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

3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-ethoxy-3-[4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]propanoic acid
CID 141125240
2-ethoxy-3-phenylpropanoic acid
CID 54403311
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
2-ethoxy-3-[4-[2-[phenylcarbamoyl(3-phenylmethoxypropyl)amino]ethoxy]phenyl]propanoic acid
CID 22234057
2-ethoxy-3-[4-[2-[(4-fluorophenyl)methoxycarbonyl-(3-phenylmethoxypropyl)amino]ethoxy]phenyl]propanoic acid
CID 22233021
3-[4-[2-[2-butoxyethyl(phenylmethoxycarbonyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22229723
3-[4-[2-[(4-bromophenyl)carbamoyl-(3-phenylmethoxypropyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230309
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
2-ethoxy-3-[4-[2-[(2-methoxyphenoxy)carbonyl-(3-phenylmethoxypropyl)amino]ethoxy]phenyl]propanoic acid
CID 22232306
2-ethoxy-3-[4-[2-[3-phenylmethoxypropyl(2,2,2-trifluoroethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22231917

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid (CID 69176081) is 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid is CCOC(Cc1ccc(OCCOCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid?
The InChIKey is DVBAZXXKLYABNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-2-24-19(20(21)22)14-16-8-10-18(11-9-16)25-13-12-23-15-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3,(H,21,22).
What are the key properties of 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid?
2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid has a molecular weight of 344.41 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid is sourced from PubChem (CID 69176081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).