3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid

C25H14O7 — CID 101063624

IUPAC3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2c1ccc1cc(O)ccc21
InChIInChI=1S/C25H14O7/c26-14-3-5-16-12(9-14)1-7-20-22(16)31-21-11-15(27)4-8-19(21)25(20)18-6-2-13(23(28)29)10-17(18)24(30)32-25/h1-11,26-27H,(H,28,29)
InChIKeyCVKGFHYNDJOORX-UHFFFAOYSA-N
MW426.38 g/mol
LogP4.52
Rot. Bonds1

About 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid

3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid (PubChem CID 101063624) has the molecular formula C25H14O7 and a molecular weight of 426.38 g/mol. Its IUPAC name is 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid.

Molecular Properties

Compound Name3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid
PubChem CID101063624
Molecular FormulaC25H14O7
Molecular Weight426.38 g/mol
Exact Mass426.07
IUPAC Name3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2c1ccc1cc(O)ccc21
InChIInChI=1S/C25H14O7/c26-14-3-5-16-12(9-14)1-7-20-22(16)31-21-11-15(27)4-8-19(21)25(20)18-6-2-13(23(28)29)10-17(18)24(30)32-25/h1-11,26-27H,(H,28,29)
InChIKeyCVKGFHYNDJOORX-UHFFFAOYSA-N
XLogP4.52
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 14876464
3'-acetyloxy-6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
CID 90689393
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carboxylic acid
CID 14647123
(E)-4-amino-2-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-4-oxobut-2-enoic acid
CID 70418993
acetic acid;2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;2',4'-dichloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 158409116
2'-chloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 175430807
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;diphenylmethanone
CID 68707787
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxy-6-iodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 12994513
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid;2-(1H-pyrrol-2-ylmethylidene)pyrrole
CID 174919297
2',7'-dichloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
CID 131952933

Frequently Asked Questions

What is the IUPAC name of 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid?
The IUPAC name of 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid (CID 101063624) is 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid.
What is the SMILES notation for 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid?
The canonical SMILES for 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2c1ccc1cc(O)ccc21.
What is the InChIKey of 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid?
The InChIKey is CVKGFHYNDJOORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14O7/c26-14-3-5-16-12(9-14)1-7-20-22(16)31-21-11-15(27)4-8-19(21)25(20)18-6-2-13(23(28)29)10-17(18)24(30)32-25/h1-11,26-27H,(H,28,29).
What are the key properties of 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid?
3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid has a molecular weight of 426.38 g/mol, XLogP of 4.52, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3',10'-dihydroxy-3-oxospiro[2-benzofuran-1,7'-benzo[c]xanthene]-5-carboxylic acid is sourced from PubChem (CID 101063624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).