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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Related Compounds

2-hydroxy-2-(5-methoxy-2,3-dimethylphenyl)acetic acid
CID 119014767
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
8-hydroxy-6-methoxy-3-(3-oxobutan-2-yl)isochromen-1-one
CID 20609319
2-(2,5-dimethoxy-3-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117468875
8-hydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]-6-methoxyisochromen-1-one
CID 45359353
4,5-dihydroxy-7-methoxychromen-2-one
CID 82371903
(1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
CID 134143819
3-[2-[carboxy(hydroxy)methyl]-5-methoxyphenyl]propanoic acid
CID 118813661
[(1S)-1-carboxy-2-(5-hydroxy-7-methoxy-2-oxochromen-4-yl)ethyl]azanium
CID 102072650

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).