2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid

C11H10O5 — CID 14867667

IUPAC2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid
SMILESO=C(O)COc1cccc2c1C(=O)CCO2
InChIInChI=1S/C11H10O5/c12-7-4-5-15-8-2-1-3-9(11(7)8)16-6-10(13)14/h1-3H,4-6H2,(H,13,14)
InChIKeyMYFFBTXEVBVKJR-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.12
Rot. Bonds3

About 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid

2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid (PubChem CID 14867667) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid
PubChem CID14867667
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid
SMILESO=C(O)COc1cccc2c1C(=O)CCO2
InChIInChI=1S/C11H10O5/c12-7-4-5-15-8-2-1-3-9(11(7)8)16-6-10(13)14/h1-3H,4-6H2,(H,13,14)
InChIKeyMYFFBTXEVBVKJR-UHFFFAOYSA-N
XLogP1.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid (CID 14867667) is 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid is O=C(O)COc1cccc2c1C(=O)CCO2.
What is the InChIKey of 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid?
The InChIKey is MYFFBTXEVBVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c12-7-4-5-15-8-2-1-3-9(11(7)8)16-6-10(13)14/h1-3H,4-6H2,(H,13,14).
What are the key properties of 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid?
2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid has a molecular weight of 222.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid is sourced from PubChem (CID 14867667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).