2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid

C18H20O3 — CID 105344853

IUPAC2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
SMILESCC(OCc1ccc(C(C)C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-13(18(19)20)16-10-8-15(9-11-16)12-21-14(2)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,19,20)
InChIKeyHKDUIAATLWDYNX-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.15
Rot. Bonds6

About 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid

2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid (PubChem CID 105344853) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
PubChem CID105344853
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
SMILESCC(OCc1ccc(C(C)C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-13(18(19)20)16-10-8-15(9-11-16)12-21-14(2)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,19,20)
InChIKeyHKDUIAATLWDYNX-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide
CID 105351383
ethoxyethane;2-phenylpropanoic acid
CID 174766454
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-(benzylsulfanylmethyl)phenyl]propanoic acid
CID 105345065

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid (CID 105344853) is 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid is CC(OCc1ccc(C(C)C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid?
The InChIKey is HKDUIAATLWDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(18(19)20)16-10-8-15(9-11-16)12-21-14(2)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid?
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 105344853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).