7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one

C15H16O4 — CID 44559765

IUPAC7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one
SMILESCC(C)=C1Oc2c(ccc3c2COC(C)(O)C3)C1=O
InChIInChI=1S/C15H16O4/c1-8(2)13-12(16)10-5-4-9-6-15(3,17)18-7-11(9)14(10)19-13/h4-5,17H,6-7H2,1-3H3
InChIKeyMKXDAWJZYZIEIP-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.34
Rot. Bonds

About 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one

7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one (PubChem CID 44559765) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one.

Molecular Properties

Compound Name7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one
PubChem CID44559765
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one
SMILESCC(C)=C1Oc2c(ccc3c2COC(C)(O)C3)C1=O
InChIInChI=1S/C15H16O4/c1-8(2)13-12(16)10-5-4-9-6-15(3,17)18-7-11(9)14(10)19-13/h4-5,17H,6-7H2,1-3H3
InChIKeyMKXDAWJZYZIEIP-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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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Related Compounds

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CID 44557646
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CID 71607849
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CID 10362614
CID 10470095
CID 10470095
CID 44557645
CID 44557645
CID 137642213
CID 137642213
CID 2917862
CID 2917862
CID 15735803
CID 15735803
CID 24763831
CID 24763831
CID 73349181
CID 73349181

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one?
The IUPAC name of 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one (CID 44559765) is 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one.
What is the SMILES notation for 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one?
The canonical SMILES for 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one is CC(C)=C1Oc2c(ccc3c2COC(C)(O)C3)C1=O.
What is the InChIKey of 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one?
The InChIKey is MKXDAWJZYZIEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-8(2)13-12(16)10-5-4-9-6-15(3,17)18-7-11(9)14(10)19-13/h4-5,17H,6-7H2,1-3H3.
What are the key properties of 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one?
7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one has a molecular weight of 260.29 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one is sourced from PubChem (CID 44559765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).