2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid

C12H10O7 — CID 162815229

IUPAC2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid
SMILESCOc1cc(O)c2c(=O)occ(C(O)C(=O)O)c2c1
InChIInChI=1S/C12H10O7/c1-18-5-2-6-7(10(14)11(15)16)4-19-12(17)9(6)8(13)3-5/h2-4,10,13-14H,1H3,(H,15,16)
InChIKeyUTOAVBRSJHIJTJ-UHFFFAOYSA-N
MW266.20 g/mol
LogP0.63
Rot. Bonds3

About 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid

2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid (PubChem CID 162815229) has the molecular formula C12H10O7 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid
PubChem CID162815229
Molecular FormulaC12H10O7
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Name2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid
SMILESCOc1cc(O)c2c(=O)occ(C(O)C(=O)O)c2c1
InChIInChI=1S/C12H10O7/c1-18-5-2-6-7(10(14)11(15)16)4-19-12(17)9(6)8(13)3-5/h2-4,10,13-14H,1H3,(H,15,16)
InChIKeyUTOAVBRSJHIJTJ-UHFFFAOYSA-N
XLogP0.63
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid (CID 162815229) is 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid is COc1cc(O)c2c(=O)occ(C(O)C(=O)O)c2c1.
What is the InChIKey of 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid?
The InChIKey is UTOAVBRSJHIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7/c1-18-5-2-6-7(10(14)11(15)16)4-19-12(17)9(6)8(13)3-5/h2-4,10,13-14H,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid?
2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid has a molecular weight of 266.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid is sourced from PubChem (CID 162815229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).