ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate

C19H17FO4 — CID 122402840

IUPACethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate
SMILESCCOC(=O)C(F)c1ccc(C2CC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C19H17FO4/c1-2-23-19(22)18(20)13-9-7-12(8-10-13)17-11-15(21)14-5-3-4-6-16(14)24-17/h3-10,17-18H,2,11H2,1H3
InChIKeyMYUQELDTUZHLSL-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.97
Rot. Bonds4

About ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate

ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate (PubChem CID 122402840) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate
PubChem CID122402840
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Nameethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate
SMILESCCOC(=O)C(F)c1ccc(C2CC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C19H17FO4/c1-2-23-19(22)18(20)13-9-7-12(8-10-13)17-11-15(21)14-5-3-4-6-16(14)24-17/h3-10,17-18H,2,11H2,1H3
InChIKeyMYUQELDTUZHLSL-UHFFFAOYSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate (CID 122402840) is ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate is CCOC(=O)C(F)c1ccc(C2CC(=O)c3ccccc3O2)cc1.
What is the InChIKey of ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate?
The InChIKey is MYUQELDTUZHLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/c1-2-23-19(22)18(20)13-9-7-12(8-10-13)17-11-15(21)14-5-3-4-6-16(14)24-17/h3-10,17-18H,2,11H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate?
ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate has a molecular weight of 328.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate is sourced from PubChem (CID 122402840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).