(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol

C13H17FO3 — CID 104948407

IUPAC(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOCC(C)C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO3/c1-8(7-16-2)13-6-11(15)10-5-9(14)3-4-12(10)17-13/h3-5,8,11,13,15H,6-7H2,1-2H3/t8?,11-,13?/m1/s1
InChIKeyZYTOGHSBWDDAOU-UHLWVNKISA-N
MW240.27 g/mol
LogP2.29
Rot. Bonds3

About (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948407) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948407
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOCC(C)C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO3/c1-8(7-16-2)13-6-11(15)10-5-9(14)3-4-12(10)17-13/h3-5,8,11,13,15H,6-7H2,1-2H3/t8?,11-,13?/m1/s1
InChIKeyZYTOGHSBWDDAOU-UHLWVNKISA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol
CID 10388360
(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948099
7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713911
6-methoxy-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709829
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
6-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715636
(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949258
(2R,4R)-6-fluoro-2-[(1R)-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol
CID 124786283
6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714035
6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714011
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104948407) is (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol is COCC(C)C1C[C@@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZYTOGHSBWDDAOU-UHLWVNKISA-N. The full InChI is InChI=1S/C13H17FO3/c1-8(7-16-2)13-6-11(15)10-5-9(14)3-4-12(10)17-13/h3-5,8,11,13,15H,6-7H2,1-2H3/t8?,11-,13?/m1/s1.
What are the key properties of (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 240.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).