(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C14H15FN2O2 — CID 104951991

IUPAC(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCn1cncc1C1C[C@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C14H15FN2O2/c1-2-17-8-16-7-11(17)14-6-12(18)10-4-3-9(15)5-13(10)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3/t12-,14?/m0/s1
InChIKeyMHNOIUTXWHPSRL-NBFOIZRFSA-N
MW262.28 g/mol
LogP2.60
Rot. Bonds2

About (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951991) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951991
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCn1cncc1C1C[C@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C14H15FN2O2/c1-2-17-8-16-7-11(17)14-6-12(18)10-4-3-9(15)5-13(10)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3/t12-,14?/m0/s1
InChIKeyMHNOIUTXWHPSRL-NBFOIZRFSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104951991) is (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is CCn1cncc1C1C[C@H](O)c2ccc(F)cc2O1.
What is the InChIKey of (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is MHNOIUTXWHPSRL-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-17-8-16-7-11(17)14-6-12(18)10-4-3-9(15)5-13(10)19-14/h3-5,7-8,12,14,18H,2,6H2,1H3/t12-,14?/m0/s1.
What are the key properties of (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 262.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).