1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol

C16H16FNO2 — CID 114743705

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16FNO2/c1-16(19,14-8-7-12(17)10-18-14)13-6-2-4-11-5-3-9-20-15(11)13/h2,4,6-8,10,19H,3,5,9H2,1H3
InChIKeyFQZUWIVUMGQMGV-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.80
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol

1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 114743705) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID114743705
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16FNO2/c1-16(19,14-8-7-12(17)10-18-14)13-6-2-4-11-5-3-9-20-15(11)13/h2,4,6-8,10,19H,3,5,9H2,1H3
InChIKeyFQZUWIVUMGQMGV-UHFFFAOYSA-N
XLogP2.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-hydroxyethyl]benzonitrile
CID 114743649
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
CID 114743669
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707464
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
CID 114743230
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124846
2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114747022
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 114743705) is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol is CC(O)(c1ccc(F)cn1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is FQZUWIVUMGQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-16(19,14-8-7-12(17)10-18-14)13-6-2-4-11-5-3-9-20-15(11)13/h2,4,6-8,10,19H,3,5,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 273.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 114743705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).