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

C17H16O3 — CID 2834771

IUPAC2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
SMILESCc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C17H16O3/c1-10-11(2)20-15-9-13(12-6-4-3-5-7-12)8-14(18)16(15)17(10)19/h3-7,13H,8-9H2,1-2H3
InChIKeyHBQXSGQRPONNLL-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.17
Rot. Bonds1

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

2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione (PubChem CID 2834771) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione.

Molecular Properties

Compound Name2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
PubChem CID2834771
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
SMILESCc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C17H16O3/c1-10-11(2)20-15-9-13(12-6-4-3-5-7-12)8-14(18)16(15)17(10)19/h3-7,13H,8-9H2,1-2H3
InChIKeyHBQXSGQRPONNLL-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The IUPAC name of 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione (CID 2834771) is 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione.
What is the SMILES notation for 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The canonical SMILES for 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione is Cc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The InChIKey is HBQXSGQRPONNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-10-11(2)20-15-9-13(12-6-4-3-5-7-12)8-14(18)16(15)17(10)19/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione has a molecular weight of 268.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione is sourced from PubChem (CID 2834771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).