2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol

C15H18ClNO2 — CID 11277460

IUPAC2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCC1(CCO)OCCc2c1[nH]c1cccc(Cl)c21
InChIInChI=1S/C15H18ClNO2/c1-2-15(7-8-18)14-10(6-9-19-15)13-11(16)4-3-5-12(13)17-14/h3-5,17-18H,2,6-9H2,1H3
InChIKeyTYVMGLIJFPLXBZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol

2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (PubChem CID 11277460) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
PubChem CID11277460
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCC1(CCO)OCCc2c1[nH]c1cccc(Cl)c21
InChIInChI=1S/C15H18ClNO2/c1-2-15(7-8-18)14-10(6-9-19-15)13-11(16)4-3-5-12(13)17-14/h3-5,17-18H,2,6-9H2,1H3
InChIKeyTYVMGLIJFPLXBZ-UHFFFAOYSA-N
XLogP3.38
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The IUPAC name of 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (CID 11277460) is 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is CCC1(CCO)OCCc2c1[nH]c1cccc(Cl)c21.
What is the InChIKey of 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The InChIKey is TYVMGLIJFPLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-15(7-8-18)14-10(6-9-19-15)13-11(16)4-3-5-12(13)17-14/h3-5,17-18H,2,6-9H2,1H3.
What are the key properties of 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol has a molecular weight of 279.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is sourced from PubChem (CID 11277460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).