5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one

C16H18O4 — CID 154732272

IUPAC5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one
SMILESCOCCc1cc2c(c3c1C=CC(C)(C)O3)COC2=O
InChIInChI=1S/C16H18O4/c1-16(2)6-4-11-10(5-7-18-3)8-12-13(14(11)20-16)9-19-15(12)17/h4,6,8H,5,7,9H2,1-3H3
InChIKeyMOMLXUFDSOSMIZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.73
Rot. Bonds3

About 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one

5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one (PubChem CID 154732272) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one
PubChem CID154732272
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one
SMILESCOCCc1cc2c(c3c1C=CC(C)(C)O3)COC2=O
InChIInChI=1S/C16H18O4/c1-16(2)6-4-11-10(5-7-18-3)8-12-13(14(11)20-16)9-19-15(12)17/h4,6,8H,5,7,9H2,1-3H3
InChIKeyMOMLXUFDSOSMIZ-UHFFFAOYSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
The IUPAC name of 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one (CID 154732272) is 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one.
What is the SMILES notation for 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
The canonical SMILES for 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one is COCCc1cc2c(c3c1C=CC(C)(C)O3)COC2=O.
What is the InChIKey of 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
The InChIKey is MOMLXUFDSOSMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-16(2)6-4-11-10(5-7-18-3)8-12-13(14(11)20-16)9-19-15(12)17/h4,6,8H,5,7,9H2,1-3H3.
What are the key properties of 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one has a molecular weight of 274.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one is sourced from PubChem (CID 154732272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).