(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate

C19H15FO4 — CID 7923721

IUPAC(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
SMILESCCCc1cc(=O)oc2cc(OC(=O)c3ccc(F)cc3)ccc12
InChIInChI=1S/C19H15FO4/c1-2-3-13-10-18(21)24-17-11-15(8-9-16(13)17)23-19(22)12-4-6-14(20)7-5-12/h4-11H,2-3H2,1H3
InChIKeyAZJZFVVEQJFYAF-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.10
Rot. Bonds4

About (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate

(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate (PubChem CID 7923721) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate.

Molecular Properties

Compound Name(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
PubChem CID7923721
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
SMILESCCCc1cc(=O)oc2cc(OC(=O)c3ccc(F)cc3)ccc12
InChIInChI=1S/C19H15FO4/c1-2-3-13-10-18(21)24-17-11-15(8-9-16(13)17)23-19(22)12-4-6-14(20)7-5-12/h4-11H,2-3H2,1H3
InChIKeyAZJZFVVEQJFYAF-UHFFFAOYSA-N
XLogP4.10
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773
(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
CID 7750795
(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
[4-(hydroxymethyl)-2-oxochromen-7-yl] benzoate
CID 132502490
(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate
CID 18149004
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
CID 9353949

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate?
The IUPAC name of (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate (CID 7923721) is (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate.
What is the SMILES notation for (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate?
The canonical SMILES for (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate is CCCc1cc(=O)oc2cc(OC(=O)c3ccc(F)cc3)ccc12.
What is the InChIKey of (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate?
The InChIKey is AZJZFVVEQJFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4/c1-2-3-13-10-18(21)24-17-11-15(8-9-16(13)17)23-19(22)12-4-6-14(20)7-5-12/h4-11H,2-3H2,1H3.
What are the key properties of (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate?
(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate has a molecular weight of 326.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate is sourced from PubChem (CID 7923721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).