1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one

C16H20O4 — CID 117442560

IUPAC1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one
SMILESCOc1c2c(c(CC(C)=O)c3c1OCCC3)OCCC2
InChIInChI=1S/C16H20O4/c1-10(17)9-13-11-5-3-8-20-16(11)15(18-2)12-6-4-7-19-14(12)13/h3-9H2,1-2H3
InChIKeyXQFRBPYNNQWCAA-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.48
Rot. Bonds3

About 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one

1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one (PubChem CID 117442560) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one
PubChem CID117442560
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one
SMILESCOc1c2c(c(CC(C)=O)c3c1OCCC3)OCCC2
InChIInChI=1S/C16H20O4/c1-10(17)9-13-11-5-3-8-20-16(11)15(18-2)12-6-4-7-19-14(12)13/h3-9H2,1-2H3
InChIKeyXQFRBPYNNQWCAA-UHFFFAOYSA-N
XLogP2.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one?
The IUPAC name of 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one (CID 117442560) is 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one.
What is the SMILES notation for 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one?
The canonical SMILES for 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one is COc1c2c(c(CC(C)=O)c3c1OCCC3)OCCC2.
What is the InChIKey of 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one?
The InChIKey is XQFRBPYNNQWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-10(17)9-13-11-5-3-8-20-16(11)15(18-2)12-6-4-7-19-14(12)13/h3-9H2,1-2H3.
What are the key properties of 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one?
1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one has a molecular weight of 276.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one is sourced from PubChem (CID 117442560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).