7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one

C14H14Cl2O3 — CID 79167757

IUPAC7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2ccc(OCC(Cl)=CCl)cc2O1
InChIInChI=1S/C14H14Cl2O3/c1-14(2)6-12(17)11-4-3-10(5-13(11)19-14)18-8-9(16)7-15/h3-5,7H,6,8H2,1-2H3
InChIKeyQIXHSGFKDVUAKS-UHFFFAOYSA-N
MW301.17 g/mol
LogP4.13
Rot. Bonds3

About 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one

7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one (PubChem CID 79167757) has the molecular formula C14H14Cl2O3 and a molecular weight of 301.17 g/mol. Its IUPAC name is 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one
PubChem CID79167757
Molecular FormulaC14H14Cl2O3
Molecular Weight301.17 g/mol
Exact Mass300.03
IUPAC Name7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2ccc(OCC(Cl)=CCl)cc2O1
InChIInChI=1S/C14H14Cl2O3/c1-14(2)6-12(17)11-4-3-10(5-13(11)19-14)18-8-9(16)7-15/h3-5,7H,6,8H2,1-2H3
InChIKeyQIXHSGFKDVUAKS-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one 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 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one (CID 79167757) is 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one is CC1(C)CC(=O)c2ccc(OCC(Cl)=CCl)cc2O1.
What is the InChIKey of 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is QIXHSGFKDVUAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O3/c1-14(2)6-12(17)11-4-3-10(5-13(11)19-14)18-8-9(16)7-15/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one?
7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 301.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 79167757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).