7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one

C19H16ClFO3 — CID 886164

IUPAC7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12
InChIInChI=1S/C19H16ClFO3/c1-2-3-12-8-19(22)24-18-10-15(6-7-16(12)18)23-11-13-4-5-14(21)9-17(13)20/h4-10H,2-3,11H2,1H3
InChIKeyIZRJQEQMXAOKBU-UHFFFAOYSA-N
MW346.79 g/mol
LogP5.12
Rot. Bonds5

About 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one

7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one (PubChem CID 886164) has the molecular formula C19H16ClFO3 and a molecular weight of 346.79 g/mol. Its IUPAC name is 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
PubChem CID886164
Molecular FormulaC19H16ClFO3
Molecular Weight346.79 g/mol
Exact Mass346.08
IUPAC Name7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12
InChIInChI=1S/C19H16ClFO3/c1-2-3-12-8-19(22)24-18-10-15(6-7-16(12)18)23-11-13-4-5-14(21)9-17(13)20/h4-10H,2-3,11H2,1H3
InChIKeyIZRJQEQMXAOKBU-UHFFFAOYSA-N
XLogP5.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.79
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(2-chloro-4-fluorophenyl)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

Related Compounds

7-[(2-chloro-4-fluorophenyl)methoxy]-4-phenylchromen-2-one
CID 2235023
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
CID 9353949
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
CID 7923721
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
CID 2018267
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
CID 7917685
7-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-propylchromen-2-one
CID 23827898
4-propyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 46933173
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
4-[(2-chloro-4-fluorophenoxy)methyl]-7-hydroxychromen-2-one
CID 8512465

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one (CID 886164) is 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12.
What is the InChIKey of 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one?
The InChIKey is IZRJQEQMXAOKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFO3/c1-2-3-12-8-19(22)24-18-10-15(6-7-16(12)18)23-11-13-4-5-14(21)9-17(13)20/h4-10H,2-3,11H2,1H3.
What are the key properties of 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one?
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one has a molecular weight of 346.79 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 886164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).