6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol

C17H17FO2 — CID 114714064

IUPAC6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(CCc2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C17H17FO2/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,14,16,19H,6,8,11H2
InChIKeyZPNVCGGGOSZVPI-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.64
Rot. Bonds3

About 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol

6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714064) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714064
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(CCc2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C17H17FO2/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,14,16,19H,6,8,11H2
InChIKeyZPNVCGGGOSZVPI-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714035
(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948099
6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714011
(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
CID 104948110
2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708632
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715755
(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951956
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
(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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714064) is 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(CCc2ccccc2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZPNVCGGGOSZVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,14,16,19H,6,8,11H2.
What are the key properties of 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 272.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).