3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one

C26H24O5 — CID 69249791

IUPAC3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCc1cc2c(cc1O)Oc1cc(O)c(CCC)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C26H24O5/c1-3-7-15-11-19-23(13-21(15)27)30-24-14-22(28)16(8-4-2)12-20(24)26(19)18-10-6-5-9-17(18)25(29)31-26/h5-6,9-14,27-28H,3-4,7-8H2,1-2H3
InChIKeyKPIUPRXGNRGLHI-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.57
Rot. Bonds4

About 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one

3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 69249791) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID69249791
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCc1cc2c(cc1O)Oc1cc(O)c(CCC)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C26H24O5/c1-3-7-15-11-19-23(13-21(15)27)30-24-14-22(28)16(8-4-2)12-20(24)26(19)18-10-6-5-9-17(18)25(29)31-26/h5-6,9-14,27-28H,3-4,7-8H2,1-2H3
InChIKeyKPIUPRXGNRGLHI-UHFFFAOYSA-N
XLogP5.57
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3'-ethoxy-2',7'-dihexyl-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 102394109
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
sodium 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetate
CID 44630172
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
2',7'-diethyl-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 22664920
2',7'-dichloro-3'-hydroxy-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane
CID 143870805
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;tetradecanoic acid
CID 89438548
2',7'-dibutyl-3'-(diethylamino)-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58544334
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;2-phenylethylbenzene
CID 68989148
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967

Frequently Asked Questions

What is the IUPAC name of 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 69249791) is 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one is CCCc1cc2c(cc1O)Oc1cc(O)c(CCC)cc1C21OC(=O)c2ccccc21.
What is the InChIKey of 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is KPIUPRXGNRGLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-3-7-15-11-19-23(13-21(15)27)30-24-14-22(28)16(8-4-2)12-20(24)26(19)18-10-6-5-9-17(18)25(29)31-26/h5-6,9-14,27-28H,3-4,7-8H2,1-2H3.
What are the key properties of 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one?
3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 416.47 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 69249791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).