3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one

C21H14O5 — CID 18364099

IUPAC3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCOc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C21H14O5/c1-24-13-7-9-17-19(11-13)25-18-10-12(22)6-8-16(18)21(17)15-5-3-2-4-14(15)20(23)26-21/h2-11,22H,1H3
InChIKeyKDXNYSZNOWTPLE-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.97
Rot. Bonds1

About 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one

3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 18364099) has the molecular formula C21H14O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID18364099
Molecular FormulaC21H14O5
Molecular Weight346.34 g/mol
Exact Mass346.08
IUPAC Name3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCOc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C21H14O5/c1-24-13-7-9-17-19(11-13)25-18-10-12(22)6-8-16(18)21(17)15-5-3-2-4-14(15)20(23)26-21/h2-11,22H,1H3
InChIKeyKDXNYSZNOWTPLE-UHFFFAOYSA-N
XLogP3.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-tert-butyl-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3'-tert-butyl-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one;methane
CID 158761491
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
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
3'-(hydroxymethyl)-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58299391
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
(6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) hydrogen phosphate
CID 42614803
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354
3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 11667826
amino dihydrogen phosphite;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174660209

Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 18364099) is 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one is COc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21.
What is the InChIKey of 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is KDXNYSZNOWTPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O5/c1-24-13-7-9-17-19(11-13)25-18-10-12(22)6-8-16(18)21(17)15-5-3-2-4-14(15)20(23)26-21/h2-11,22H,1H3.
What are the key properties of 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 346.34 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 18364099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).