2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid

C12H16O5 — CID 117353042

IUPAC2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid
SMILESCOCC(OC)c1ccccc1C(O)C(=O)O
InChIInChI=1S/C12H16O5/c1-16-7-10(17-2)8-5-3-4-6-9(8)11(13)12(14)15/h3-6,10-11,13H,7H2,1-2H3,(H,14,15)
InChIKeyQYIQTDNVNQUFII-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.14
Rot. Bonds6

About 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid

2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 117353042) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid
PubChem CID117353042
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid
SMILESCOCC(OC)c1ccccc1C(O)C(=O)O
InChIInChI=1S/C12H16O5/c1-16-7-10(17-2)8-5-3-4-6-9(8)11(13)12(14)15/h3-6,10-11,13H,7H2,1-2H3,(H,14,15)
InChIKeyQYIQTDNVNQUFII-UHFFFAOYSA-N
XLogP1.14
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-[2-(1,2-dimethoxyethyl)phenyl]propanoic acid
CID 117385801
3-(1,2-dimethoxyethyl)phthalic acid
CID 56995975
4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid
CID 117383892
3-[2-(1,2-dimethoxyethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117420017
2-(1,2-dimethoxyethyl)benzaldehyde
CID 117275927
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine
CID 117320593
CID 70117604
CID 70117604
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid (CID 117353042) is 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid is COCC(OC)c1ccccc1C(O)C(=O)O.
What is the InChIKey of 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is QYIQTDNVNQUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-16-7-10(17-2)8-5-3-4-6-9(8)11(13)12(14)15/h3-6,10-11,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid?
2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 240.25 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117353042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).