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

C17H23NO2 — CID 10967690

IUPAC2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
SMILESCCc1cccc2c3c([nH]c12)[C@](CC)(CCO)OCC3
InChIInChI=1S/C17H23NO2/c1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-19)16(14)18-15(12)13/h5-7,18-19H,3-4,8-11H2,1-2H3/t17-/m0/s1
InChIKeyIFMKEMYYSBDUOL-KRWDZBQOSA-N
MW273.38 g/mol
LogP3.29
Rot. Bonds4

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

2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol (PubChem CID 10967690) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
PubChem CID10967690
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
SMILESCCc1cccc2c3c([nH]c12)[C@](CC)(CCO)OCC3
InChIInChI=1S/C17H23NO2/c1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-19)16(14)18-15(12)13/h5-7,18-19H,3-4,8-11H2,1-2H3/t17-/m0/s1
InChIKeyIFMKEMYYSBDUOL-KRWDZBQOSA-N
XLogP3.29
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 688461
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethyl butanoate
CID 25198887
sodium;2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;hydride
CID 173052364
2-[1-ethyl-8-(trifluoromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 11771384
2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 11277657
2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 59639732
3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol
CID 143265888
pentyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 42613324
2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 143028925
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-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide
CID 69423236
8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
CID 58679466

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
The IUPAC name of 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol (CID 10967690) is 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol.
What is the SMILES notation for 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
The canonical SMILES for 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol is CCc1cccc2c3c([nH]c12)[C@](CC)(CCO)OCC3.
What is the InChIKey of 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
The InChIKey is IFMKEMYYSBDUOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-19)16(14)18-15(12)13/h5-7,18-19H,3-4,8-11H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol has a molecular weight of 273.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol is sourced from PubChem (CID 10967690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).