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

C18H25NO2 — CID 11277657

IUPAC2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCc1cccc2c3c([nH]c12)C(CCO)(C(C)C)OCC3
InChIInChI=1S/C18H25NO2/c1-4-13-6-5-7-14-15-8-11-21-18(9-10-20,12(2)3)17(15)19-16(13)14/h5-7,12,19-20H,4,8-11H2,1-3H3
InChIKeyABKJMNGZTJSZCN-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.54
Rot. Bonds4

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

2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (PubChem CID 11277657) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.

Molecular Properties

Compound Name2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
PubChem CID11277657
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCc1cccc2c3c([nH]c12)C(CCO)(C(C)C)OCC3
InChIInChI=1S/C18H25NO2/c1-4-13-6-5-7-14-15-8-11-21-18(9-10-20,12(2)3)17(15)19-16(13)14/h5-7,12,19-20H,4,8-11H2,1-3H3
InChIKeyABKJMNGZTJSZCN-UHFFFAOYSA-N
XLogP3.54
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The IUPAC name of 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (CID 11277657) is 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.
What is the SMILES notation for 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The canonical SMILES for 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is CCc1cccc2c3c([nH]c12)C(CCO)(C(C)C)OCC3.
What is the InChIKey of 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The InChIKey is ABKJMNGZTJSZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-13-6-5-7-14-15-8-11-21-18(9-10-20,12(2)3)17(15)19-16(13)14/h5-7,12,19-20H,4,8-11H2,1-3H3.
What are the key properties of 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol has a molecular weight of 287.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is sourced from PubChem (CID 11277657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).