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

C14H17FO4 — CID 14773401

IUPACethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)C[C@]1(O)C[C@@H](C)Oc2ccc(F)cc21
InChIInChI=1S/C14H17FO4/c1-3-18-13(16)8-14(17)7-9(2)19-12-5-4-10(15)6-11(12)14/h4-6,9,17H,3,7-8H2,1-2H3/t9-,14-/m1/s1
InChIKeyHCDOGEZMNYPKFP-YMTOWFKASA-N
MW268.28 g/mol
LogP2.14
Rot. Bonds3

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

ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate (PubChem CID 14773401) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate
PubChem CID14773401
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Nameethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)C[C@]1(O)C[C@@H](C)Oc2ccc(F)cc21
InChIInChI=1S/C14H17FO4/c1-3-18-13(16)8-14(17)7-9(2)19-12-5-4-10(15)6-11(12)14/h4-6,9,17H,3,7-8H2,1-2H3/t9-,14-/m1/s1
InChIKeyHCDOGEZMNYPKFP-YMTOWFKASA-N
XLogP2.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate
CID 70377758
ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 23293598
prop-2-enyl 2-[(2R,4R)-6,7-dichloro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate
CID 14773457
ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate
CID 116532301
ethyl 2-(4-chloro-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetate
CID 10978626
ethyl 2-(2-carbamothioyl-N-cyclopropyl-4-fluoroanilino)acetate
CID 63672880
ethyl 2-[2,2-diethyl-4-hydroxy-7-(trifluoromethyl)-3H-chromen-4-yl]acetate
CID 68706120
ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate
CID 57221354
2-(6-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 82142670
2-[(3R)-6-fluoro-1-hydroxy-3-methyl-3,4-dihydroisochromen-1-yl]acetic acid
CID 174262481
(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]
CID 152653654
ethyl 2-[[1-(2-ethoxy-2-oxoethyl)-5-fluoro-1-methyl-3-oxo-2H-inden-2-yl]amino]-2-oxoacetate
CID 10594988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate (CID 14773401) is ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate is CCOC(=O)C[C@]1(O)C[C@@H](C)Oc2ccc(F)cc21.
What is the InChIKey of ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate?
The InChIKey is HCDOGEZMNYPKFP-YMTOWFKASA-N. The full InChI is InChI=1S/C14H17FO4/c1-3-18-13(16)8-14(17)7-9(2)19-12-5-4-10(15)6-11(12)14/h4-6,9,17H,3,7-8H2,1-2H3/t9-,14-/m1/s1.
What are the key properties of ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate?
ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate has a molecular weight of 268.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate is sourced from PubChem (CID 14773401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).