1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol

C17H17FO2 — CID 114744473

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1F)c1cccc2c1OCCC2
InChIInChI=1S/C17H17FO2/c18-15-9-2-1-5-13(15)11-16(19)14-8-3-6-12-7-4-10-20-17(12)14/h1-3,5-6,8-9,16,19H,4,7,10-11H2
InChIKeyHGYXYRANHTUAFY-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.43
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol

1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol (PubChem CID 114744473) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
PubChem CID114744473
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1F)c1cccc2c1OCCC2
InChIInChI=1S/C17H17FO2/c18-15-9-2-1-5-13(15)11-16(19)14-8-3-6-12-7-4-10-20-17(12)14/h1-3,5-6,8-9,16,19H,4,7,10-11H2
InChIKeyHGYXYRANHTUAFY-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
CID 114744615
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
CID 105130678
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol (CID 114744473) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol is OC(Cc1ccccc1F)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol?
The InChIKey is HGYXYRANHTUAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c18-15-9-2-1-5-13(15)11-16(19)14-8-3-6-12-7-4-10-20-17(12)14/h1-3,5-6,8-9,16,19H,4,7,10-11H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol?
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol has a molecular weight of 272.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 114744473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).