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

C17H16O3 — CID 788400

IUPAC(7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
SMILESCc1oc2c(c(=O)c1C)C(=O)C[C@H](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/t13-/m0/s1
InChIKeyHBQXSGQRPONNLL-ZDUSSCGKSA-N
MW268.31 g/mol
LogP3.17
Rot. Bonds1

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

(7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione (PubChem CID 788400) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione.

Molecular Properties

Compound Name(7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
PubChem CID788400
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
SMILESCc1oc2c(c(=O)c1C)C(=O)C[C@H](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/t13-/m0/s1
InChIKeyHBQXSGQRPONNLL-ZDUSSCGKSA-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

Analyze (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The IUPAC name of (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione (CID 788400) is (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione.
What is the SMILES notation for (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The canonical SMILES for (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione is Cc1oc2c(c(=O)c1C)C(=O)C[C@H](c1ccccc1)C2.
What is the InChIKey of (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
The InChIKey is HBQXSGQRPONNLL-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione?
(7R)-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 (7R)-2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione is sourced from PubChem (CID 788400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).