(4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione

C17H17ClO3 — CID 1478260

IUPAC(4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-17(2)8-13(19)16-12(7-15(20)21-14(16)9-17)10-3-5-11(18)6-4-10/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyGUFJCGMMWFBFRG-GFCCVEGCSA-N
MW304.77 g/mol
LogP4.01
Rot. Bonds1

About (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione

(4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione (PubChem CID 1478260) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione
PubChem CID1478260
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-17(2)8-13(19)16-12(7-15(20)21-14(16)9-17)10-3-5-11(18)6-4-10/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyGUFJCGMMWFBFRG-GFCCVEGCSA-N
XLogP4.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-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 (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione?
The IUPAC name of (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione (CID 1478260) is (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione is CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(Cl)cc1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione?
The InChIKey is GUFJCGMMWFBFRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-17(2)8-13(19)16-12(7-15(20)21-14(16)9-17)10-3-5-11(18)6-4-10/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione?
(4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione has a molecular weight of 304.77 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione is sourced from PubChem (CID 1478260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).