3-hydroxy-9H-xanthene-9-carboxylic acid

C14H10O4 — CID 22117056

IUPAC3-hydroxy-9H-xanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Oc2cc(O)ccc21
InChIInChI=1S/C14H10O4/c15-8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)14(16)17/h1-7,13,15H,(H,16,17)
InChIKeyKEZNMEDSRIRVLX-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.71
Rot. Bonds1

About 3-hydroxy-9H-xanthene-9-carboxylic acid

3-hydroxy-9H-xanthene-9-carboxylic acid (PubChem CID 22117056) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-hydroxy-9H-xanthene-9-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-9H-xanthene-9-carboxylic acid
PubChem CID22117056
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name3-hydroxy-9H-xanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Oc2cc(O)ccc21
InChIInChI=1S/C14H10O4/c15-8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)14(16)17/h1-7,13,15H,(H,16,17)
InChIKeyKEZNMEDSRIRVLX-UHFFFAOYSA-N
XLogP2.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9H-xanthene-9-carboxylic acid?
The IUPAC name of 3-hydroxy-9H-xanthene-9-carboxylic acid (CID 22117056) is 3-hydroxy-9H-xanthene-9-carboxylic acid.
What is the SMILES notation for 3-hydroxy-9H-xanthene-9-carboxylic acid?
The canonical SMILES for 3-hydroxy-9H-xanthene-9-carboxylic acid is O=C(O)C1c2ccccc2Oc2cc(O)ccc21.
What is the InChIKey of 3-hydroxy-9H-xanthene-9-carboxylic acid?
The InChIKey is KEZNMEDSRIRVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)14(16)17/h1-7,13,15H,(H,16,17).
What are the key properties of 3-hydroxy-9H-xanthene-9-carboxylic acid?
3-hydroxy-9H-xanthene-9-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9H-xanthene-9-carboxylic acid is sourced from PubChem (CID 22117056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).