(2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one

C15H18O4 — CID 156581392

IUPAC(2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one
SMILESCC(C)[C@H]1Oc2c(ccc3c2C(=O)O[C@H](C)C3)[C@H]1O
InChIInChI=1S/C15H18O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,7-8,12-13,16H,6H2,1-3H3/t8-,12-,13-/m1/s1
InChIKeyXRFQIGJMQMCLBR-BZHVJNSISA-N
MW262.30 g/mol
LogP2.24
Rot. Bonds1

About (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one

(2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one (PubChem CID 156581392) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one.

Molecular Properties

Compound Name(2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one
PubChem CID156581392
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one
SMILESCC(C)[C@H]1Oc2c(ccc3c2C(=O)O[C@H](C)C3)[C@H]1O
InChIInChI=1S/C15H18O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,7-8,12-13,16H,6H2,1-3H3/t8-,12-,13-/m1/s1
InChIKeyXRFQIGJMQMCLBR-BZHVJNSISA-N
XLogP2.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one?
The IUPAC name of (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one (CID 156581392) is (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one.
What is the SMILES notation for (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one?
The canonical SMILES for (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one is CC(C)[C@H]1Oc2c(ccc3c2C(=O)O[C@H](C)C3)[C@H]1O.
What is the InChIKey of (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one?
The InChIKey is XRFQIGJMQMCLBR-BZHVJNSISA-N. The full InChI is InChI=1S/C15H18O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,7-8,12-13,16H,6H2,1-3H3/t8-,12-,13-/m1/s1.
What are the key properties of (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one?
(2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one has a molecular weight of 262.30 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,7R)-3-hydroxy-7-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one is sourced from PubChem (CID 156581392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).