7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one

C15H14O3 — CID 44557645

IUPAC7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one
SMILESCC1=Cc2ccc3c(c2CO1)OC(=C(C)C)C3=O
InChIInChI=1S/C15H14O3/c1-8(2)14-13(16)11-5-4-10-6-9(3)17-7-12(10)15(11)18-14/h4-6H,7H2,1-3H3
InChIKeyOOSHVFPYQURYMZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.45
Rot. Bonds

About 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one

7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one (PubChem CID 44557645) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one.

Molecular Properties

Compound Name7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one
PubChem CID44557645
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one
SMILESCC1=Cc2ccc3c(c2CO1)OC(=C(C)C)C3=O
InChIInChI=1S/C15H14O3/c1-8(2)14-13(16)11-5-4-10-6-9(3)17-7-12(10)15(11)18-14/h4-6H,7H2,1-3H3
InChIKeyOOSHVFPYQURYMZ-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one?
The IUPAC name of 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one (CID 44557645) is 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one.
What is the SMILES notation for 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one?
The canonical SMILES for 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one is CC1=Cc2ccc3c(c2CO1)OC(=C(C)C)C3=O.
What is the InChIKey of 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one?
The InChIKey is OOSHVFPYQURYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-8(2)14-13(16)11-5-4-10-6-9(3)17-7-12(10)15(11)18-14/h4-6H,7H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one?
7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one has a molecular weight of 242.27 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one is sourced from PubChem (CID 44557645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).