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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Related Compounds

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CID 3035292
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CID 636462
3',6'-Diethoxyfluorescein
CID 161373
Vermistatin
CID 5467588
Pergillin
CID 44559765
5-((2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl)-4-hydroxy-6-methoxy-1(3H)-isobenzofuranone
CID 11782478
4,6-Dimethoxy-phthalide
CID 596895
4-[2-(3,3-Dimethyl-2,3-dihydro-benzofuran-5-yl)-propenyl]-benzoic acid methyl ester
CID 13833726
1(3H)-Isobenzofuranone, 4-methoxy-5-methyl-6-((3-methyl-2-butenyl)oxy)-
CID 176955
benzoic acid 2-((2S)-7-oxo-2,3-dihydrofuro(3,2-g)(1)benzopyran-2-yl)propan-2-yl ester
CID 1042895
Eleutherol
CID 120697
6-Methoxyphthalide
CID 330539

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).