2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid

C11H14O4 — CID 18448337

IUPAC2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid
SMILESCCc1cc(CO)ccc1OCC(=O)O
InChIInChI=1S/C11H14O4/c1-2-9-5-8(6-12)3-4-10(9)15-7-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyHQZLSZHDVNXAOX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.20
Rot. Bonds5

About 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid

2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid (PubChem CID 18448337) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid
PubChem CID18448337
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid
SMILESCCc1cc(CO)ccc1OCC(=O)O
InChIInChI=1S/C11H14O4/c1-2-9-5-8(6-12)3-4-10(9)15-7-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyHQZLSZHDVNXAOX-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-ethylphenoxy]acetic acid
CID 69490222
2-[4-[3-[4-(dihydroxymethyl)phenyl]propyl]-2-ethylphenoxy]acetic acid
CID 69490227
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
2-(5-bromo-2-ethylphenoxy)acetic acid
CID 151411352
2-ethoxy-5-(hydroxymethyl)benzoic acid
CID 163697379
2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
CID 107742387
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
CID 142628351
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
2-(6-ethyl-2-oxochromen-7-yl)oxyacetic acid
CID 88514719

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid (CID 18448337) is 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid is CCc1cc(CO)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid?
The InChIKey is HQZLSZHDVNXAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-9-5-8(6-12)3-4-10(9)15-7-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid?
2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid is sourced from PubChem (CID 18448337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).