2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one

C16H20O4 — CID 24862535

IUPAC2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one
SMILESCC1(C)CC(=O)c2cc3c(cc2O1)CC(C(C)(C)O)O3
InChIInChI=1S/C16H20O4/c1-15(2)8-11(17)10-7-12-9(5-13(10)20-15)6-14(19-12)16(3,4)18/h5,7,14,18H,6,8H2,1-4H3
InChIKeyCGEURPDLOCVPML-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.50
Rot. Bonds1

About 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one

2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one (PubChem CID 24862535) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one
PubChem CID24862535
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one
SMILESCC1(C)CC(=O)c2cc3c(cc2O1)CC(C(C)(C)O)O3
InChIInChI=1S/C16H20O4/c1-15(2)8-11(17)10-7-12-9(5-13(10)20-15)6-14(19-12)16(3,4)18/h5,7,14,18H,6,8H2,1-4H3
InChIKeyCGEURPDLOCVPML-UHFFFAOYSA-N
XLogP2.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one (CID 24862535) is 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one is CC1(C)CC(=O)c2cc3c(cc2O1)CC(C(C)(C)O)O3.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one?
The InChIKey is CGEURPDLOCVPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-15(2)8-11(17)10-7-12-9(5-13(10)20-15)6-14(19-12)16(3,4)18/h5,7,14,18H,6,8H2,1-4H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one?
2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one has a molecular weight of 276.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one is sourced from PubChem (CID 24862535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).