(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol

C19H21FO2 — CID 158119819

IUPAC(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol
SMILESO[C@@H](CCCc1ccccc1)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C19H21FO2/c20-16-10-12-18-15(13-16)9-11-19(22-18)17(21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13,17,19,21H,4,7-9,11H2/t17-,19+/m0/s1
InChIKeyMMCMZLZAELWBRT-PKOBYXMFSA-N
MW300.37 g/mol
LogP3.90
Rot. Bonds5

About (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol

(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol (PubChem CID 158119819) has the molecular formula C19H21FO2 and a molecular weight of 300.37 g/mol. Its IUPAC name is (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol
PubChem CID158119819
Molecular FormulaC19H21FO2
Molecular Weight300.37 g/mol
Exact Mass300.15
IUPAC Name(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol
SMILESO[C@@H](CCCc1ccccc1)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C19H21FO2/c20-16-10-12-18-15(13-16)9-11-19(22-18)17(21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13,17,19,21H,4,7-9,11H2/t17-,19+/m0/s1
InChIKeyMMCMZLZAELWBRT-PKOBYXMFSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol
CID 166798745
(1R)-2-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 67337423
2-[benzyl-[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;methane
CID 159568558
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
CID 161067218
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 58409721
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
CID 11626384
2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen
CID 145188563
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);sulfane
CID 169428735
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol;oxalic acid
CID 54759293
(1R)-2-[benzyl-[2-(6-fluoro-3,4-dihydro-2H-thiochromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 143827496

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol?
The IUPAC name of (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol (CID 158119819) is (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol is O[C@@H](CCCc1ccccc1)[C@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol?
The InChIKey is MMCMZLZAELWBRT-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H21FO2/c20-16-10-12-18-15(13-16)9-11-19(22-18)17(21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13,17,19,21H,4,7-9,11H2/t17-,19+/m0/s1.
What are the key properties of (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol?
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol has a molecular weight of 300.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol is sourced from PubChem (CID 158119819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).