2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one

C19H17FO4 — CID 175470085

IUPAC2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one
SMILESCOCCCOc1c(-c2ccc(F)cc2)oc2ccccc2c1=O
InChIInChI=1S/C19H17FO4/c1-22-11-4-12-23-19-17(21)15-5-2-3-6-16(15)24-18(19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3
InChIKeyJPZWCZXODUITCX-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one

2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one (PubChem CID 175470085) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one
PubChem CID175470085
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one
SMILESCOCCCOc1c(-c2ccc(F)cc2)oc2ccccc2c1=O
InChIInChI=1S/C19H17FO4/c1-22-11-4-12-23-19-17(21)15-5-2-3-6-16(15)24-18(19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3
InChIKeyJPZWCZXODUITCX-UHFFFAOYSA-N
XLogP4.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-3-(3-methoxypropoxy)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 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one (CID 175470085) is 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one is COCCCOc1c(-c2ccc(F)cc2)oc2ccccc2c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one?
The InChIKey is JPZWCZXODUITCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/c1-22-11-4-12-23-19-17(21)15-5-2-3-6-16(15)24-18(19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one?
2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one has a molecular weight of 328.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one is sourced from PubChem (CID 175470085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).