(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate

C19H14ClFO4 — CID 8879823

IUPAC(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)Cc3c(F)cccc3Cl)ccc12
InChIInChI=1S/C19H14ClFO4/c1-2-11-8-18(22)25-17-9-12(6-7-13(11)17)24-19(23)10-14-15(20)4-3-5-16(14)21/h3-9H,2,10H2,1H3
InChIKeyULHZYCKKXXWNSY-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.30
Rot. Bonds4

About (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate

(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 8879823) has the molecular formula C19H14ClFO4 and a molecular weight of 360.77 g/mol. Its IUPAC name is (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID8879823
Molecular FormulaC19H14ClFO4
Molecular Weight360.77 g/mol
Exact Mass360.06
IUPAC Name(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)Cc3c(F)cccc3Cl)ccc12
InChIInChI=1S/C19H14ClFO4/c1-2-11-8-18(22)25-17-9-12(6-7-13(11)17)24-19(23)10-14-15(20)4-3-5-16(14)21/h3-9H,2,10H2,1H3
InChIKeyULHZYCKKXXWNSY-UHFFFAOYSA-N
XLogP4.30
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.30
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) 2-(3-fluorophenoxy)acetate
CID 8879849
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
1,3-benzodioxol-5-yl 2-(2-chloro-6-fluorophenyl)acetate
CID 8766423
(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate
CID 7718271
(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate
CID 16583704
(4-ethyl-2-oxochromen-7-yl) 3-nitrobenzoate
CID 7925901
[3-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxochromen-7-yl] piperidine-1-carboxylate
CID 87870898

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate (CID 8879823) is (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate is CCc1cc(=O)oc2cc(OC(=O)Cc3c(F)cccc3Cl)ccc12.
What is the InChIKey of (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is ULHZYCKKXXWNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO4/c1-2-11-8-18(22)25-17-9-12(6-7-13(11)17)24-19(23)10-14-15(20)4-3-5-16(14)21/h3-9H,2,10H2,1H3.
What are the key properties of (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate?
(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 360.77 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 8879823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).