2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one

C24H20O4 — CID 135141455

IUPAC2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc21
InChIInChI=1S/C24H20O4/c1-13(2)14-3-6-22-19(12-14)23(27)28-24(22)20-7-4-17(25)10-15(20)9-16-11-18(26)5-8-21(16)24/h3-8,10-13,25-26H,9H2,1-2H3
InChIKeyYDAYCXOPOXVEDU-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.59
Rot. Bonds1

About 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one

2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one (PubChem CID 135141455) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one.

Molecular Properties

Compound Name2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one
PubChem CID135141455
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc21
InChIInChI=1S/C24H20O4/c1-13(2)14-3-6-22-19(12-14)23(27)28-24(22)20-7-4-17(25)10-15(20)9-16-11-18(26)5-8-21(16)24/h3-8,10-13,25-26H,9H2,1-2H3
InChIKeyYDAYCXOPOXVEDU-UHFFFAOYSA-N
XLogP4.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one?
The IUPAC name of 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one (CID 135141455) is 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one.
What is the SMILES notation for 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one?
The canonical SMILES for 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one is CC(C)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc21.
What is the InChIKey of 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one?
The InChIKey is YDAYCXOPOXVEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-13(2)14-3-6-22-19(12-14)23(27)28-24(22)20-7-4-17(25)10-15(20)9-16-11-18(26)5-8-21(16)24/h3-8,10-13,25-26H,9H2,1-2H3.
What are the key properties of 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one?
2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one has a molecular weight of 372.42 g/mol, XLogP of 4.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dihydroxy-6-propan-2-ylspiro[2-benzofuran-3,10'-9H-anthracene]-1-one is sourced from PubChem (CID 135141455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).