6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one

C19H15ClF2O3 — CID 1289369

IUPAC6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)c(Cl)cc12
InChIInChI=1S/C19H15ClF2O3/c1-2-3-11-6-19(23)25-17-9-18(15(20)8-14(11)17)24-10-12-4-5-13(21)7-16(12)22/h4-9H,2-3,10H2,1H3
InChIKeyIFFNKHATARMUPT-UHFFFAOYSA-N
MW364.78 g/mol
LogP5.26
Rot. Bonds5

About 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one

6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one (PubChem CID 1289369) has the molecular formula C19H15ClF2O3 and a molecular weight of 364.78 g/mol. Its IUPAC name is 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one
PubChem CID1289369
Molecular FormulaC19H15ClF2O3
Molecular Weight364.78 g/mol
Exact Mass364.07
IUPAC Name6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)c(Cl)cc12
InChIInChI=1S/C19H15ClF2O3/c1-2-3-11-6-19(23)25-17-9-18(15(20)8-14(11)17)24-10-12-4-5-13(21)7-16(12)22/h4-9H,2-3,10H2,1H3
InChIKeyIFFNKHATARMUPT-UHFFFAOYSA-N
XLogP5.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.78
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-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 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one?
The IUPAC name of 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one (CID 1289369) is 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one?
The canonical SMILES for 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)c(Cl)cc12.
What is the InChIKey of 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one?
The InChIKey is IFFNKHATARMUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2O3/c1-2-3-11-6-19(23)25-17-9-18(15(20)8-14(11)17)24-10-12-4-5-13(21)7-16(12)22/h4-9H,2-3,10H2,1H3.
What are the key properties of 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one?
6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one has a molecular weight of 364.78 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(2,4-difluorophenyl)methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 1289369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).