ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate

C19H19FO4 — CID 70377758

IUPACethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)C[C@]1(O)C[C@@H](c2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C19H19FO4/c1-2-23-18(21)12-19(22)11-17(13-6-4-3-5-7-13)24-16-9-8-14(20)10-15(16)19/h3-10,17,22H,2,11-12H2,1H3/t17-,19+/m0/s1
InChIKeyGKKKUUWPGKZEKV-PKOBYXMFSA-N
MW330.36 g/mol
LogP3.49
Rot. Bonds4

About ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate

ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate (PubChem CID 70377758) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate
PubChem CID70377758
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Nameethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)C[C@]1(O)C[C@@H](c2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C19H19FO4/c1-2-23-18(21)12-19(22)11-17(13-6-4-3-5-7-13)24-16-9-8-14(20)10-15(16)19/h3-10,17,22H,2,11-12H2,1H3/t17-,19+/m0/s1
InChIKeyGKKKUUWPGKZEKV-PKOBYXMFSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate?
The IUPAC name of ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate (CID 70377758) is ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate is CCOC(=O)C[C@]1(O)C[C@@H](c2ccccc2)Oc2ccc(F)cc21.
What is the InChIKey of ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate?
The InChIKey is GKKKUUWPGKZEKV-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H19FO4/c1-2-23-18(21)12-19(22)11-17(13-6-4-3-5-7-13)24-16-9-8-14(20)10-15(16)19/h3-10,17,22H,2,11-12H2,1H3/t17-,19+/m0/s1.
What are the key properties of ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate?
ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate has a molecular weight of 330.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate is sourced from PubChem (CID 70377758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).