2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one

C17H18O4 — CID 1239680

IUPAC2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCO[C@H](C)c1oc2c(C)c3oc(=O)cc(C)c3cc2c1C
InChIInChI=1S/C17H18O4/c1-8-6-14(18)20-16-10(3)17-13(7-12(8)16)9(2)15(21-17)11(4)19-5/h6-7,11H,1-5H3/t11-/m1/s1
InChIKeyJFSRDKGQQWQUPR-LLVKDONJSA-N
MW286.33 g/mol
LogP4.17
Rot. Bonds2

About 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one

2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 1239680) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one
PubChem CID1239680
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCO[C@H](C)c1oc2c(C)c3oc(=O)cc(C)c3cc2c1C
InChIInChI=1S/C17H18O4/c1-8-6-14(18)20-16-10(3)17-13(7-12(8)16)9(2)15(21-17)11(4)19-5/h6-7,11H,1-5H3/t11-/m1/s1
InChIKeyJFSRDKGQQWQUPR-LLVKDONJSA-N
XLogP4.17
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 10106552
2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18612305
3-tert-butyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 907312
2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 7273664
3-(butoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59925675
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
3-[2-(2-aminoethoxy)ethoxymethyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 15461706
4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
9-(2-hydroxyethoxymethyl)-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 18421417
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 174817988
2-[2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methoxy]ethoxy]ethyl methanesulfonate
CID 23443465

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one (CID 1239680) is 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one is CO[C@H](C)c1oc2c(C)c3oc(=O)cc(C)c3cc2c1C.
What is the InChIKey of 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is JFSRDKGQQWQUPR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18O4/c1-8-6-14(18)20-16-10(3)17-13(7-12(8)16)9(2)15(21-17)11(4)19-5/h6-7,11H,1-5H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 286.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 1239680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).