2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol

C23H25F2NO2 — CID 143028925

IUPAC2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
SMILESCCc1cc(-c2ccc(F)cc2F)cc2c3c([nH]c12)[C@@](CC)(CCO)OCC3
InChIInChI=1S/C23H25F2NO2/c1-3-14-11-15(17-6-5-16(24)13-20(17)25)12-19-18-7-10-28-23(4-2,8-9-27)22(18)26-21(14)19/h5-6,11-13,26-27H,3-4,7-10H2,1-2H3/t23-/m1/s1
InChIKeyDINWLOQRXYXOCJ-HSZRJFAPSA-N
MW385.45 g/mol
LogP5.24
Rot. Bonds5

About 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol

2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol (PubChem CID 143028925) has the molecular formula C23H25F2NO2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
PubChem CID143028925
Molecular FormulaC23H25F2NO2
Molecular Weight385.45 g/mol
Exact Mass385.19
IUPAC Name2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
SMILESCCc1cc(-c2ccc(F)cc2F)cc2c3c([nH]c12)[C@@](CC)(CCO)OCC3
InChIInChI=1S/C23H25F2NO2/c1-3-14-11-15(17-6-5-16(24)13-20(17)25)12-19-18-7-10-28-23(4-2,8-9-27)22(18)26-21(14)19/h5-6,11-13,26-27H,3-4,7-10H2,1-2H3/t23-/m1/s1
InChIKeyDINWLOQRXYXOCJ-HSZRJFAPSA-N
XLogP5.24
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol with MolForge

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Related Compounds

2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 143029004
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 10967690
2-[1-ethyl-8-(trifluoromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 11771384
3-[1-ethyl-1-(2-hydroxyethyl)-6-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-8-yl]benzaldehyde
CID 11429261
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 688461
2-[1-ethyl-6-[(E)-2-(4-methyl-1,3-dioxetan-2-yl)ethenyl]-8-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 89228172
2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 11277657
2-(1-ethyl-5-fluoro-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
CID 21099131
[8-fluoro-5-(4-methylphenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl] acetate
CID 91220763
2-[1-ethyl-8-(2,2,2-trifluoroethoxy)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 21272032
4-(2,4-difluorophenyl)-2-ethylphenol
CID 59810220
ethyl 2-(5-bromo-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 23401463

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
The IUPAC name of 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol (CID 143028925) is 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol.
What is the SMILES notation for 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
The canonical SMILES for 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol is CCc1cc(-c2ccc(F)cc2F)cc2c3c([nH]c12)[C@@](CC)(CCO)OCC3.
What is the InChIKey of 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
The InChIKey is DINWLOQRXYXOCJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25F2NO2/c1-3-14-11-15(17-6-5-16(24)13-20(17)25)12-19-18-7-10-28-23(4-2,8-9-27)22(18)26-21(14)19/h5-6,11-13,26-27H,3-4,7-10H2,1-2H3/t23-/m1/s1.
What are the key properties of 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol has a molecular weight of 385.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol is sourced from PubChem (CID 143028925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).