(7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one

C15H16O4 — CID 24763831

IUPAC(7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one
SMILESCC(C)=C1Oc2c(ccc3c2[C@@H](O)O[C@H](C)C3)C1=O
InChIInChI=1S/C15H16O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8,15,17H,6H2,1-3H3/t8-,15+/m1/s1
InChIKeyLSQCSEQTJDZMSO-GLEZIHRCSA-N
MW260.29 g/mol
LogP2.51
Rot. Bonds

About (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one

(7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one (PubChem CID 24763831) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one.

Molecular Properties

Compound Name(7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one
PubChem CID24763831
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one
SMILESCC(C)=C1Oc2c(ccc3c2[C@@H](O)O[C@H](C)C3)C1=O
InChIInChI=1S/C15H16O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8,15,17H,6H2,1-3H3/t8-,15+/m1/s1
InChIKeyLSQCSEQTJDZMSO-GLEZIHRCSA-N
XLogP2.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one?
The IUPAC name of (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one (CID 24763831) is (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one.
What is the SMILES notation for (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one?
The canonical SMILES for (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one is CC(C)=C1Oc2c(ccc3c2[C@@H](O)O[C@H](C)C3)C1=O.
What is the InChIKey of (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one?
The InChIKey is LSQCSEQTJDZMSO-GLEZIHRCSA-N. The full InChI is InChI=1S/C15H16O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8,15,17H,6H2,1-3H3/t8-,15+/m1/s1.
What are the key properties of (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one?
(7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one has a molecular weight of 260.29 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S)-9-hydroxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one is sourced from PubChem (CID 24763831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).