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

C18H19FO2 — CID 104951956

IUPAC(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(CC1C[C@H](O)c2ccc(F)cc2O1)c1ccccc1
InChIInChI=1S/C18H19FO2/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17,20H,9,11H2,1H3/t12?,15?,17-/m0/s1
InChIKeyXEDXQLQUIJRSKN-QOJXUVEWSA-N
MW286.35 g/mol
LogP4.20
Rot. Bonds3

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

(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951956) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951956
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(CC1C[C@H](O)c2ccc(F)cc2O1)c1ccccc1
InChIInChI=1S/C18H19FO2/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17,20H,9,11H2,1H3/t12?,15?,17-/m0/s1
InChIKeyXEDXQLQUIJRSKN-QOJXUVEWSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714792
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949968
6-methyl-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715231
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715755
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948099
7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 122235955
6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714064

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol (CID 104951956) is (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol is CC(CC1C[C@H](O)c2ccc(F)cc2O1)c1ccccc1.
What is the InChIKey of (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XEDXQLQUIJRSKN-QOJXUVEWSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17,20H,9,11H2,1H3/t12?,15?,17-/m0/s1.
What are the key properties of (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 286.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).