7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid

C10H8O5 — CID 70676635

IUPAC7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2ccc(O)cc2O1
InChIInChI=1S/C10H8O5/c11-5-1-2-6-7(10(13)14)4-9(12)15-8(6)3-5/h1-3,7,11H,4H2,(H,13,14)
InChIKeyWSZBNBRFHOJIKZ-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.87
Rot. Bonds1

About 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid

7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid (PubChem CID 70676635) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid
PubChem CID70676635
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2ccc(O)cc2O1
InChIInChI=1S/C10H8O5/c11-5-1-2-6-7(10(13)14)4-9(12)15-8(6)3-5/h1-3,7,11H,4H2,(H,13,14)
InChIKeyWSZBNBRFHOJIKZ-UHFFFAOYSA-N
XLogP0.87
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 78101646
(2S)-2-amino-3-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)propanoic acid
CID 138638253
2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]acetic acid
CID 58265173
7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one
CID 20570530
3-hydroxy-9H-xanthene-9-carboxylic acid
CID 22117056
2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide
CID 58265195
(6aS,10aR)-3-hydroxy-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-6-one
CID 170383320
4-(2-ethoxy-4-methoxyphenyl)-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984581
2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]ethyl methyl sulfate
CID 58265165
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
CID 122394788
4-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984977

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid?
The IUPAC name of 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid (CID 70676635) is 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid?
The canonical SMILES for 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid is O=C1CC(C(=O)O)c2ccc(O)cc2O1.
What is the InChIKey of 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid?
The InChIKey is WSZBNBRFHOJIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-5-1-2-6-7(10(13)14)4-9(12)15-8(6)3-5/h1-3,7,11H,4H2,(H,13,14).
What are the key properties of 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid?
7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid is sourced from PubChem (CID 70676635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).