2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid

C11H10O5 — CID 134350417

IUPAC2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)C=CC(O)O2
InChIInChI=1S/C11H10O5/c12-10(13)6-15-8-2-3-9-7(5-8)1-4-11(14)16-9/h1-5,11,14H,6H2,(H,12,13)
InChIKeyDVOKMSUZSJRWHE-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.87
Rot. Bonds3

About 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid

2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid (PubChem CID 134350417) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid
PubChem CID134350417
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)C=CC(O)O2
InChIInChI=1S/C11H10O5/c12-10(13)6-15-8-2-3-9-7(5-8)1-4-11(14)16-9/h1-5,11,14H,6H2,(H,12,13)
InChIKeyDVOKMSUZSJRWHE-UHFFFAOYSA-N
XLogP0.87
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid (CID 134350417) is 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid is O=C(O)COc1ccc2c(c1)C=CC(O)O2.
What is the InChIKey of 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid?
The InChIKey is DVOKMSUZSJRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c12-10(13)6-15-8-2-3-9-7(5-8)1-4-11(14)16-9/h1-5,11,14H,6H2,(H,12,13).
What are the key properties of 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid?
2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid has a molecular weight of 222.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid is sourced from PubChem (CID 134350417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).