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

C23H14O5 — CID 11667826

IUPAC3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESC#CCOc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C23H14O5/c1-2-11-26-15-8-10-19-21(13-15)27-20-12-14(24)7-9-18(20)23(19)17-6-4-3-5-16(17)22(25)28-23/h1,3-10,12-13,24H,11H2
InChIKeyRAUBICRUFCFHNB-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.97
Rot. Bonds2

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

3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 11667826) has the molecular formula C23H14O5 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID11667826
Molecular FormulaC23H14O5
Molecular Weight370.36 g/mol
Exact Mass370.08
IUPAC Name3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESC#CCOc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C23H14O5/c1-2-11-26-15-8-10-19-21(13-15)27-20-12-14(24)7-9-18(20)23(19)17-6-4-3-5-16(17)22(25)28-23/h1,3-10,12-13,24H,11H2
InChIKeyRAUBICRUFCFHNB-UHFFFAOYSA-N
XLogP3.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;O-prop-2-ynyl carbamothioate
CID 174608460
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
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',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
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3'-hydroxy-6'-[(2-nitrophenyl)methoxy]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 10389845
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;2-phenylethylbenzene
CID 68989148
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N-isothiocyanato-1-sulfanylidenemethanimine
CID 134495246

Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 11667826) is 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one is C#CCOc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21.
What is the InChIKey of 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is RAUBICRUFCFHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O5/c1-2-11-26-15-8-10-19-21(13-15)27-20-12-14(24)7-9-18(20)23(19)17-6-4-3-5-16(17)22(25)28-23/h1,3-10,12-13,24H,11H2.
What are the key properties of 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 370.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-6'-prop-2-ynoxyspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 11667826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).