2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid

C17H18O4 — CID 22087415

IUPAC2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
SMILESCCOc1cc(OCc2ccccc2)ccc1CC(=O)O
InChIInChI=1S/C17H18O4/c1-2-20-16-11-15(9-8-14(16)10-17(18)19)21-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyRIGLVVGSXXZFNM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.29
Rot. Bonds7

About 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid

2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid (PubChem CID 22087415) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
PubChem CID22087415
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
SMILESCCOc1cc(OCc2ccccc2)ccc1CC(=O)O
InChIInChI=1S/C17H18O4/c1-2-20-16-11-15(9-8-14(16)10-17(18)19)21-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyRIGLVVGSXXZFNM-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
CID 10687073
1,3-bis(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826690
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetic acid
CID 141320097

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid (CID 22087415) is 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid is CCOc1cc(OCc2ccccc2)ccc1CC(=O)O.
What is the InChIKey of 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid?
The InChIKey is RIGLVVGSXXZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-16-11-15(9-8-14(16)10-17(18)19)21-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,18,19).
What are the key properties of 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid?
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid has a molecular weight of 286.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 22087415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).