2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid

C13H16O6 — CID 117424076

IUPAC2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
SMILESCOc1c(OC2CCOC2)cccc1C(O)C(=O)O
InChIInChI=1S/C13H16O6/c1-17-12-9(11(14)13(15)16)3-2-4-10(12)19-8-5-6-18-7-8/h2-4,8,11,14H,5-7H2,1H3,(H,15,16)
InChIKeyYOPGXFXNJLDFKB-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.98
Rot. Bonds5

About 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid

2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid (PubChem CID 117424076) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
PubChem CID117424076
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
SMILESCOc1c(OC2CCOC2)cccc1C(O)C(=O)O
InChIInChI=1S/C13H16O6/c1-17-12-9(11(14)13(15)16)3-2-4-10(12)19-8-5-6-18-7-8/h2-4,8,11,14H,5-7H2,1H3,(H,15,16)
InChIKeyYOPGXFXNJLDFKB-UHFFFAOYSA-N
XLogP0.98
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
2-methoxy-3-(oxan-3-yloxy)benzoic acid
CID 115005205
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
CID 66746226
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid (CID 117424076) is 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid is COc1c(OC2CCOC2)cccc1C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid?
The InChIKey is YOPGXFXNJLDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-17-12-9(11(14)13(15)16)3-2-4-10(12)19-8-5-6-18-7-8/h2-4,8,11,14H,5-7H2,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid?
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid has a molecular weight of 268.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid is sourced from PubChem (CID 117424076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).