6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one

C18H20O4 — CID 177433590

IUPAC6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one
SMILESCOc1cc2c(=O)cc(C(C)C)oc2c2c1C=CC(C)(C)O2
InChIInChI=1S/C18H20O4/c1-10(2)14-9-13(19)12-8-15(20-5)11-6-7-18(3,4)22-17(11)16(12)21-14/h6-10H,1-5H3
InChIKeyLOIKVAOGOHTAJO-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.11
Rot. Bonds2

About 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one

6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one (PubChem CID 177433590) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one.

Molecular Properties

Compound Name6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one
PubChem CID177433590
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one
SMILESCOc1cc2c(=O)cc(C(C)C)oc2c2c1C=CC(C)(C)O2
InChIInChI=1S/C18H20O4/c1-10(2)14-9-13(19)12-8-15(20-5)11-6-7-18(3,4)22-17(11)16(12)21-14/h6-10H,1-5H3
InChIKeyLOIKVAOGOHTAJO-UHFFFAOYSA-N
XLogP4.11
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one?
The IUPAC name of 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one (CID 177433590) is 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one.
What is the SMILES notation for 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one?
The canonical SMILES for 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one is COc1cc2c(=O)cc(C(C)C)oc2c2c1C=CC(C)(C)O2.
What is the InChIKey of 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one?
The InChIKey is LOIKVAOGOHTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-10(2)14-9-13(19)12-8-15(20-5)11-6-7-18(3,4)22-17(11)16(12)21-14/h6-10H,1-5H3.
What are the key properties of 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one?
6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one has a molecular weight of 300.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one is sourced from PubChem (CID 177433590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).