2-(2,5-diethoxyphenyl)acetic acid

C12H16O4 — CID 4685204

IUPAC2-(2,5-diethoxyphenyl)acetic acid
SMILESCCOc1ccc(OCC)c(CC(=O)O)c1
InChIInChI=1S/C12H16O4/c1-3-15-10-5-6-11(16-4-2)9(7-10)8-12(13)14/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyWWLQYLSNISZSQQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds6

About 2-(2,5-diethoxyphenyl)acetic acid

2-(2,5-diethoxyphenyl)acetic acid (PubChem CID 4685204) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2,5-diethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-diethoxyphenyl)acetic acid
PubChem CID4685204
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2,5-diethoxyphenyl)acetic acid
SMILESCCOc1ccc(OCC)c(CC(=O)O)c1
InChIInChI=1S/C12H16O4/c1-3-15-10-5-6-11(16-4-2)9(7-10)8-12(13)14/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyWWLQYLSNISZSQQ-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
1-(2,5-diethoxyphenyl)heptan-4-one
CID 83942828
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170999024
2-[4-[(2-bromo-4-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 22687808
1-chloro-1-(2,5-diethoxyphenyl)propan-2-one
CID 166641878
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-amino-4-[(2,5-diethoxyphenyl)methyl]-2-methylhexanoic acid
CID 150161464
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxyphenyl)acetic acid?
The IUPAC name of 2-(2,5-diethoxyphenyl)acetic acid (CID 4685204) is 2-(2,5-diethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-diethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,5-diethoxyphenyl)acetic acid is CCOc1ccc(OCC)c(CC(=O)O)c1.
What is the InChIKey of 2-(2,5-diethoxyphenyl)acetic acid?
The InChIKey is WWLQYLSNISZSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-15-10-5-6-11(16-4-2)9(7-10)8-12(13)14/h5-7H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,5-diethoxyphenyl)acetic acid?
2-(2,5-diethoxyphenyl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxyphenyl)acetic acid is sourced from PubChem (CID 4685204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).