2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid

C11H14O4 — CID 141078685

IUPAC2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
SMILESCCOCc1cc(O)ccc1CC(=O)O
InChIInChI=1S/C11H14O4/c1-2-15-7-9-5-10(12)4-3-8(9)6-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyXDCGTZDMMDTWJJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.56
Rot. Bonds5

About 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid

2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid (PubChem CID 141078685) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
PubChem CID141078685
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
SMILESCCOCc1cc(O)ccc1CC(=O)O
InChIInChI=1S/C11H14O4/c1-2-15-7-9-5-10(12)4-3-8(9)6-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyXDCGTZDMMDTWJJ-UHFFFAOYSA-N
XLogP1.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(ethoxymethyl)phenol
CID 175162905
3-bromo-4-(ethoxymethyl)phenol
CID 117219830
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-(ethoxymethyl)-5-methylbenzoic acid
CID 117221377
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
CID 89164400
CID 89164400
2-(5-hydroxy-2-iodooxyphenyl)acetic acid
CID 174312460
2-(ethoxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol
CID 155543166
4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid
CID 80730360
4-(ethoxymethyl)naphthalen-1-ol
CID 90487839
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid
CID 68831855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid (CID 141078685) is 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid is CCOCc1cc(O)ccc1CC(=O)O.
What is the InChIKey of 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid?
The InChIKey is XDCGTZDMMDTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-15-7-9-5-10(12)4-3-8(9)6-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid?
2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid is sourced from PubChem (CID 141078685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).