5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one

C17H13FO3 — CID 140599559

IUPAC5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one
SMILESC[C@H](O)c1oc2cccc(F)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13FO3/c1-10(19)17-14(11-6-3-2-4-7-11)16(20)15-12(18)8-5-9-13(15)21-17/h2-10,19H,1H3/t10-/m0/s1
InChIKeyKFZOCRAXGGVDMV-JTQLQIEISA-N
MW284.29 g/mol
LogP3.65
Rot. Bonds2

About 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one

5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one (PubChem CID 140599559) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one.

Molecular Properties

Compound Name5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one
PubChem CID140599559
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one
SMILESC[C@H](O)c1oc2cccc(F)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13FO3/c1-10(19)17-14(11-6-3-2-4-7-11)16(20)15-12(18)8-5-9-13(15)21-17/h2-10,19H,1H3/t10-/m0/s1
InChIKeyKFZOCRAXGGVDMV-JTQLQIEISA-N
XLogP3.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromoethyl)-5-chloro-3-phenylchromen-4-one
CID 121309240
1,8-difluoroxanthen-9-one
CID 135044827
CID 89180672
CID 89180672
5-fluoro-3-iodo-2-phenylchromen-4-one
CID 67067654
2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one
CID 71465690
2-[1-[4-amino-3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-phenylchromen-4-one
CID 71465624
2-(1-butoxyethyl)-5-methyl-3-phenylchromen-4-one
CID 89180619
2-[1-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-fluoro-3-(4-fluorophenyl)chromen-4-one
CID 123816647
2-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 89154218
2-ethyl-5-fluoro-3-(2-fluorophenyl)chromen-4-one
CID 89154232
2-[1-[6-(dimethylamino)purin-9-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 89154202
2-[1-[4-(dimethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 71465908

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one?
The IUPAC name of 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one (CID 140599559) is 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one.
What is the SMILES notation for 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one?
The canonical SMILES for 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one is C[C@H](O)c1oc2cccc(F)c2c(=O)c1-c1ccccc1.
What is the InChIKey of 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one?
The InChIKey is KFZOCRAXGGVDMV-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13FO3/c1-10(19)17-14(11-6-3-2-4-7-11)16(20)15-12(18)8-5-9-13(15)21-17/h2-10,19H,1H3/t10-/m0/s1.
What are the key properties of 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one?
5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one has a molecular weight of 284.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one is sourced from PubChem (CID 140599559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).