3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione

C15H18O4 — CID 621732

IUPAC3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione
SMILESCC1COC2=C1C(=O)C1=C(OCC(C(C)C)C1)C2=O
InChIInChI=1S/C15H18O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h7-9H,4-6H2,1-3H3
InChIKeyFCVVXPCXLOPFAF-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.01
Rot. Bonds1

About 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione

3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione (PubChem CID 621732) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione
PubChem CID621732
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione
SMILESCC1COC2=C1C(=O)C1=C(OCC(C(C)C)C1)C2=O
InChIInChI=1S/C15H18O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h7-9H,4-6H2,1-3H3
InChIKeyFCVVXPCXLOPFAF-UHFFFAOYSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione?
The IUPAC name of 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione (CID 621732) is 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione.
What is the SMILES notation for 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione?
The canonical SMILES for 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione is CC1COC2=C1C(=O)C1=C(OCC(C(C)C)C1)C2=O.
What is the InChIKey of 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione?
The InChIKey is FCVVXPCXLOPFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione?
3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione has a molecular weight of 262.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione is sourced from PubChem (CID 621732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).