(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol

C13H17FO3 — CID 104948348

IUPAC(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
SMILESCCOCC1(C)C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO3/c1-3-16-8-13(2)7-11(15)10-6-9(14)4-5-12(10)17-13/h4-6,11,15H,3,7-8H2,1-2H3/t11-,13?/m1/s1
InChIKeyXAJBRKFODKLIID-JTDNENJMSA-N
MW240.27 g/mol
LogP2.44
Rot. Bonds3

About (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol

(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 104948348) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID104948348
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
SMILESCCOCC1(C)C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO3/c1-3-16-8-13(2)7-11(15)10-6-9(14)4-5-12(10)17-13/h4-6,11,15H,3,7-8H2,1-2H3/t11-,13?/m1/s1
InChIKeyXAJBRKFODKLIID-JTDNENJMSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol (CID 104948348) is (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol is CCOCC1(C)C[C@@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is XAJBRKFODKLIID-JTDNENJMSA-N. The full InChI is InChI=1S/C13H17FO3/c1-3-16-8-13(2)7-11(15)10-6-9(14)4-5-12(10)17-13/h4-6,11,15H,3,7-8H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 240.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104948348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).