2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione

C20H22O3 — CID 2834772

IUPAC2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
SMILESCCCCc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C20H22O3/c1-3-4-10-17-13(2)20(22)19-16(21)11-15(12-18(19)23-17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyLZZDOJDUUQQOKA-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.20
Rot. Bonds4

About 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione

2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione (PubChem CID 2834772) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione.

Molecular Properties

Compound Name2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
PubChem CID2834772
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
SMILESCCCCc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C20H22O3/c1-3-4-10-17-13(2)20(22)19-16(21)11-15(12-18(19)23-17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyLZZDOJDUUQQOKA-UHFFFAOYSA-N
XLogP4.20
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The IUPAC name of 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione (CID 2834772) is 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione.
What is the SMILES notation for 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The canonical SMILES for 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione is CCCCc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The InChIKey is LZZDOJDUUQQOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-3-4-10-17-13(2)20(22)19-16(21)11-15(12-18(19)23-17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3.
What are the key properties of 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione has a molecular weight of 310.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione is sourced from PubChem (CID 2834772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).