5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole

C17H22ClNO2 — CID 171518200

IUPAC5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(OCCC3CCCO3)cc2[nH]1
InChIInChI=1S/C17H22ClNO2/c1-11(2)15-9-12-8-14(18)17(10-16(12)19-15)21-7-5-13-4-3-6-20-13/h8-11,13,19H,3-7H2,1-2H3
InChIKeyNWQDBVWJBURDNZ-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.89
Rot. Bonds5

About 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole

5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole (PubChem CID 171518200) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole
PubChem CID171518200
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(OCCC3CCCO3)cc2[nH]1
InChIInChI=1S/C17H22ClNO2/c1-11(2)15-9-12-8-14(18)17(10-16(12)19-15)21-7-5-13-4-3-6-20-13/h8-11,13,19H,3-7H2,1-2H3
InChIKeyNWQDBVWJBURDNZ-UHFFFAOYSA-N
XLogP4.89
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942
5-chloro-6-(1,4-dioxan-2-ylmethoxy)-2-propan-2-yl-1H-indole
CID 171731919
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
CID 171731898
1-[3-chloro-4-[3-(oxolan-2-yl)propoxy]phenyl]propan-2-amine
CID 65164688
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057918
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole?
The IUPAC name of 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole (CID 171518200) is 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole is CC(C)c1cc2cc(Cl)c(OCCC3CCCO3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole?
The InChIKey is NWQDBVWJBURDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-11(2)15-9-12-8-14(18)17(10-16(12)19-15)21-7-5-13-4-3-6-20-13/h8-11,13,19H,3-7H2,1-2H3.
What are the key properties of 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole?
5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole has a molecular weight of 307.82 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole is sourced from PubChem (CID 171518200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).