2-(3-ethoxy-4-methoxyphenyl)acetic acid

C11H14O4 — CID 7144569

IUPAC2-(3-ethoxy-4-methoxyphenyl)acetic acid
SMILESCCOc1cc(CC(=O)O)ccc1OC
InChIInChI=1S/C11H14O4/c1-3-15-10-6-8(7-11(12)13)4-5-9(10)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyKNQFGVWUKMDAGO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds5

About 2-(3-ethoxy-4-methoxyphenyl)acetic acid

2-(3-ethoxy-4-methoxyphenyl)acetic acid (PubChem CID 7144569) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxyphenyl)acetic acid
PubChem CID7144569
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(3-ethoxy-4-methoxyphenyl)acetic acid
SMILESCCOc1cc(CC(=O)O)ccc1OC
InChIInChI=1S/C11H14O4/c1-3-15-10-6-8(7-11(12)13)4-5-9(10)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyKNQFGVWUKMDAGO-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxy-4-pentoxyphenyl)acetic acid
CID 7139429
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
CID 165344990
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
3-[(3-ethoxy-4-methoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331515
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 84752900
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
3-[(3-ethoxy-4-methoxyphenyl)methylcarbamoylamino]propanoic acid
CID 122002229

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)acetic acid (CID 7144569) is 2-(3-ethoxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-ethoxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-ethoxy-4-methoxyphenyl)acetic acid is CCOc1cc(CC(=O)O)ccc1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxyphenyl)acetic acid?
The InChIKey is KNQFGVWUKMDAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-10-6-8(7-11(12)13)4-5-9(10)14-2/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-ethoxy-4-methoxyphenyl)acetic acid?
2-(3-ethoxy-4-methoxyphenyl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 7144569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).