5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

C14H15Cl2NO2 — CID 141078769

IUPAC5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCOCCC1OCCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H15Cl2NO2/c1-18-6-5-11-13-8(4-7-19-11)12-9(15)2-3-10(16)14(12)17-13/h2-3,11,17H,4-7H2,1H3
InChIKeyWLCWZWOSGRUSCO-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.12
Rot. Bonds3

About 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole (PubChem CID 141078769) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
PubChem CID141078769
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCOCCC1OCCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H15Cl2NO2/c1-18-6-5-11-13-8(4-7-19-11)12-9(15)2-3-10(16)14(12)17-13/h2-3,11,17H,4-7H2,1H3
InChIKeyWLCWZWOSGRUSCO-UHFFFAOYSA-N
XLogP4.12
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The IUPAC name of 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole (CID 141078769) is 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole is COCCC1OCCc2c1[nH]c1c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The InChIKey is WLCWZWOSGRUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-18-6-5-11-13-8(4-7-19-11)12-9(15)2-3-10(16)14(12)17-13/h2-3,11,17H,4-7H2,1H3.
What are the key properties of 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole has a molecular weight of 300.19 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole is sourced from PubChem (CID 141078769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).