8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one

C21H18O3 — CID 102355319

IUPAC8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one
SMILESC=C(C)C1(C)Cc2c(ccc3c(=O)c(-c4ccccc4)coc23)O1
InChIInChI=1S/C21H18O3/c1-13(2)21(3)11-16-18(24-21)10-9-15-19(22)17(12-23-20(15)16)14-7-5-4-6-8-14/h4-10,12H,1,11H2,2-3H3
InChIKeyPGVVYBZLLIZADA-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.73
Rot. Bonds2

About 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one

8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one (PubChem CID 102355319) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one.

Molecular Properties

Compound Name8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one
PubChem CID102355319
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one
SMILESC=C(C)C1(C)Cc2c(ccc3c(=O)c(-c4ccccc4)coc23)O1
InChIInChI=1S/C21H18O3/c1-13(2)21(3)11-16-18(24-21)10-9-15-19(22)17(12-23-20(15)16)14-7-5-4-6-8-14/h4-10,12H,1,11H2,2-3H3
InChIKeyPGVVYBZLLIZADA-UHFFFAOYSA-N
XLogP4.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one?
The IUPAC name of 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one (CID 102355319) is 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one.
What is the SMILES notation for 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one?
The canonical SMILES for 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one is C=C(C)C1(C)Cc2c(ccc3c(=O)c(-c4ccccc4)coc23)O1.
What is the InChIKey of 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one?
The InChIKey is PGVVYBZLLIZADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-13(2)21(3)11-16-18(24-21)10-9-15-19(22)17(12-23-20(15)16)14-7-5-4-6-8-14/h4-10,12H,1,11H2,2-3H3.
What are the key properties of 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one?
8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one has a molecular weight of 318.37 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one is sourced from PubChem (CID 102355319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).