7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one

C18H14O4 — CID 71209868

IUPAC7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one
SMILESCC1C(=O)c2ccccc2OC12C=Cc1ccc(O)cc1O2
InChIInChI=1S/C18H14O4/c1-11-17(20)14-4-2-3-5-15(14)21-18(11)9-8-12-6-7-13(19)10-16(12)22-18/h2-11,19H,1H3
InChIKeyONWWUFWPXFIBJP-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.41
Rot. Bonds

About 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one

7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one (PubChem CID 71209868) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one.

Molecular Properties

Compound Name7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one
PubChem CID71209868
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one
SMILESCC1C(=O)c2ccccc2OC12C=Cc1ccc(O)cc1O2
InChIInChI=1S/C18H14O4/c1-11-17(20)14-4-2-3-5-15(14)21-18(11)9-8-12-6-7-13(19)10-16(12)22-18/h2-11,19H,1H3
InChIKeyONWWUFWPXFIBJP-UHFFFAOYSA-N
XLogP3.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one?
The IUPAC name of 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one (CID 71209868) is 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one.
What is the SMILES notation for 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one?
The canonical SMILES for 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one is CC1C(=O)c2ccccc2OC12C=Cc1ccc(O)cc1O2.
What is the InChIKey of 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one?
The InChIKey is ONWWUFWPXFIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-11-17(20)14-4-2-3-5-15(14)21-18(11)9-8-12-6-7-13(19)10-16(12)22-18/h2-11,19H,1H3.
What are the key properties of 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one?
7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one has a molecular weight of 294.31 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one is sourced from PubChem (CID 71209868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).