5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one

C21H18O4 — CID 10958572

IUPAC5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
SMILESCOc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)C=CC(C)(C)O2
InChIInChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyDPAGRPSAFDXQDN-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.65
Rot. Bonds2

About 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one

5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one (PubChem CID 10958572) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
PubChem CID10958572
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
SMILESCOc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)C=CC(C)(C)O2
InChIInChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyDPAGRPSAFDXQDN-UHFFFAOYSA-N
XLogP4.65
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one?
The IUPAC name of 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one (CID 10958572) is 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one.
What is the SMILES notation for 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one?
The canonical SMILES for 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one is COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)C=CC(C)(C)O2.
What is the InChIKey of 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one?
The InChIKey is DPAGRPSAFDXQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one?
5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one has a molecular weight of 334.37 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 10958572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).