(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one

C13H14O4 — CID 38347272

IUPAC(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
SMILESCOc1cc2c(c3c1C(=O)C[C@@H](C)O3)CCO2
InChIInChI=1S/C13H14O4/c1-7-5-9(14)12-11(15-2)6-10-8(3-4-16-10)13(12)17-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyBCRRDBKZXSRMHL-SSDOTTSWSA-N
MW234.25 g/mol
LogP1.98
Rot. Bonds1

About (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one

(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one (PubChem CID 38347272) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
PubChem CID38347272
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
SMILESCOc1cc2c(c3c1C(=O)C[C@@H](C)O3)CCO2
InChIInChI=1S/C13H14O4/c1-7-5-9(14)12-11(15-2)6-10-8(3-4-16-10)13(12)17-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyBCRRDBKZXSRMHL-SSDOTTSWSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
The IUPAC name of (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one (CID 38347272) is (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one.
What is the SMILES notation for (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
The canonical SMILES for (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one is COc1cc2c(c3c1C(=O)C[C@@H](C)O3)CCO2.
What is the InChIKey of (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
The InChIKey is BCRRDBKZXSRMHL-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14O4/c1-7-5-9(14)12-11(15-2)6-10-8(3-4-16-10)13(12)17-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one?
(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one has a molecular weight of 234.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one is sourced from PubChem (CID 38347272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).