spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol

C20H14O4 — CID 21240933

IUPACspiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
SMILESOc1ccc2c(c1)Oc1cc(O)ccc1C21OCc2ccccc21
InChIInChI=1S/C20H14O4/c21-13-5-7-16-18(9-13)24-19-10-14(22)6-8-17(19)20(16)15-4-2-1-3-12(15)11-23-20/h1-10,21-22H,11H2
InChIKeyQQZSCUXFZKELNP-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.03
Rot. Bonds

About spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol

spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol (PubChem CID 21240933) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol.

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
PubChem CID21240933
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Namespiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
SMILESOc1ccc2c(c1)Oc1cc(O)ccc1C21OCc2ccccc21
InChIInChI=1S/C20H14O4/c21-13-5-7-16-18(9-13)24-19-10-14(22)6-8-17(19)20(16)15-4-2-1-3-12(15)11-23-20/h1-10,21-22H,11H2
InChIKeyQQZSCUXFZKELNP-UHFFFAOYSA-N
XLogP4.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 143532366
4',5'-dichlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 66813638
(6'-methoxyspiro[1H-2-benzofuran-3,9'-xanthene]-3'-yl) trifluoromethanesulfonate
CID 162533143
spiro[1H-2-benzofuran-3,9'-3,9a-dihydroxanthene]-3',6'-diol
CID 159219577
3,3-diphenyl-1H-2-benzofuran
CID 571068
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
spiro[1H-2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 151870020
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967

Frequently Asked Questions

What is the IUPAC name of spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
The IUPAC name of spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol (CID 21240933) is spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol.
What is the SMILES notation for spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
The canonical SMILES for spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol is Oc1ccc2c(c1)Oc1cc(O)ccc1C21OCc2ccccc21.
What is the InChIKey of spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
The InChIKey is QQZSCUXFZKELNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-13-5-7-16-18(9-13)24-19-10-14(22)6-8-17(19)20(16)15-4-2-1-3-12(15)11-23-20/h1-10,21-22H,11H2.
What are the key properties of spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol has a molecular weight of 318.33 g/mol, XLogP of 4.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol is sourced from PubChem (CID 21240933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).