ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate

C12H11FO4 — CID 121015268

IUPACethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate
SMILESCCOC(=O)C1=C(O)COc2ccc(F)cc21
InChIInChI=1S/C12H11FO4/c1-2-16-12(15)11-8-5-7(13)3-4-10(8)17-6-9(11)14/h3-5,14H,2,6H2,1H3
InChIKeyOMSNQEIRCXCHKG-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.05
Rot. Bonds2

About ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate

ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate (PubChem CID 121015268) has the molecular formula C12H11FO4 and a molecular weight of 238.21 g/mol. Its IUPAC name is ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate
PubChem CID121015268
Molecular FormulaC12H11FO4
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Nameethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate
SMILESCCOC(=O)C1=C(O)COc2ccc(F)cc21
InChIInChI=1S/C12H11FO4/c1-2-16-12(15)11-8-5-7(13)3-4-10(8)17-6-9(11)14/h3-5,14H,2,6H2,1H3
InChIKeyOMSNQEIRCXCHKG-UHFFFAOYSA-N
XLogP2.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-tert-butyl-3-hydroxy-2H-chromene-4-carboxylate
CID 102340868
ethyl 4-chloro-6-fluoro-2H-chromene-3-carboxylate
CID 170871923
ethyl 11-hydroxy-9-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,11-pentaene-12-carboxylate
CID 59985885
ethyl 3-hydroxy-8-iodo-2H-chromene-4-carboxylate
CID 102340871
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CID 102455440
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CID 70097120
ethyl 5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379181
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
4-chloro-6-fluoro-3-methyl-2H-chromene
CID 68812143
ethyl (2E)-2-(7-fluoro-4H-1,4-benzoxazin-3-ylidene)acetate
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ethyl (2Z)-2-(5-fluoro-3-oxo-1-benzofuran-2-ylidene)acetate
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CID 138965120

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate?
The IUPAC name of ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate (CID 121015268) is ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate?
The canonical SMILES for ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate is CCOC(=O)C1=C(O)COc2ccc(F)cc21.
What is the InChIKey of ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate?
The InChIKey is OMSNQEIRCXCHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO4/c1-2-16-12(15)11-8-5-7(13)3-4-10(8)17-6-9(11)14/h3-5,14H,2,6H2,1H3.
What are the key properties of ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate?
ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate has a molecular weight of 238.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-3-hydroxy-2H-chromene-4-carboxylate is sourced from PubChem (CID 121015268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).