2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol

C22H26FNO4 — CID 58409721

IUPAC2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
SMILESOC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2ccccc2O1
InChIInChI=1S/C22H26FNO4/c23-16-7-10-20-15(11-16)6-9-22(28-20)18(26)13-24-12-17(25)21-8-5-14-3-1-2-4-19(14)27-21/h1-4,7,10-11,17-18,21-22,24-26H,5-6,8-9,12-13H2
InChIKeyJMAVJQLYDMPPMQ-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.22
Rot. Bonds6

About 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol

2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol (PubChem CID 58409721) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol.

Molecular Properties

Compound Name2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
PubChem CID58409721
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
SMILESOC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2ccccc2O1
InChIInChI=1S/C22H26FNO4/c23-16-7-10-20-15(11-16)6-9-22(28-20)18(26)13-24-12-17(25)21-8-5-14-3-1-2-4-19(14)27-21/h1-4,7,10-11,17-18,21-22,24-26H,5-6,8-9,12-13H2
InChIKeyJMAVJQLYDMPPMQ-UHFFFAOYSA-N
XLogP2.22
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol?
The IUPAC name of 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) is 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol.
What is the SMILES notation for 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol?
The canonical SMILES for 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol is OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2ccccc2O1.
What is the InChIKey of 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol?
The InChIKey is JMAVJQLYDMPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c23-16-7-10-20-15(11-16)6-9-22(28-20)18(26)13-24-12-17(25)21-8-5-14-3-1-2-4-19(14)27-21/h1-4,7,10-11,17-18,21-22,24-26H,5-6,8-9,12-13H2.
What are the key properties of 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol?
2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol has a molecular weight of 387.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol is sourced from PubChem (CID 58409721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).