2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid

C17H18O4 — CID 105344950

IUPAC2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
SMILESCCOc1cccc(OCc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C17H18O4/c1-2-20-15-4-3-5-16(11-15)21-12-14-8-6-13(7-9-14)10-17(18)19/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyHFIHUPAZSWTDMZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.29
Rot. Bonds7

About 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid

2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid (PubChem CID 105344950) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
PubChem CID105344950
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
SMILESCCOc1cccc(OCc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C17H18O4/c1-2-20-15-4-3-5-16(11-15)21-12-14-8-6-13(7-9-14)10-17(18)19/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyHFIHUPAZSWTDMZ-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

2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
2-[4-[(2-bromo-4-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 22687808
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62442576
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
[4-[(3-ethoxyphenoxy)methyl]phenyl]boronic acid
CID 62337881
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 112977838
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
CID 22241581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid (CID 105344950) is 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid is CCOc1cccc(OCc2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid?
The InChIKey is HFIHUPAZSWTDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-15-4-3-5-16(11-15)21-12-14-8-6-13(7-9-14)10-17(18)19/h3-9,11H,2,10,12H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid?
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]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-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 105344950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).