6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole

C19H22ClNO — CID 54514499

IUPAC6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole
SMILESCC1N(CCOc2ccccc2)c2cc(Cl)ccc2C1(C)C
InChIInChI=1S/C19H22ClNO/c1-14-19(2,3)17-10-9-15(20)13-18(17)21(14)11-12-22-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyYLLRGJICSIQNJQ-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.91
Rot. Bonds4

About 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole

6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole (PubChem CID 54514499) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole.

Molecular Properties

Compound Name6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole
PubChem CID54514499
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole
SMILESCC1N(CCOc2ccccc2)c2cc(Cl)ccc2C1(C)C
InChIInChI=1S/C19H22ClNO/c1-14-19(2,3)17-10-9-15(20)13-18(17)21(14)11-12-22-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyYLLRGJICSIQNJQ-UHFFFAOYSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole?
The IUPAC name of 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole (CID 54514499) is 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole.
What is the SMILES notation for 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole?
The canonical SMILES for 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole is CC1N(CCOc2ccccc2)c2cc(Cl)ccc2C1(C)C.
What is the InChIKey of 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole?
The InChIKey is YLLRGJICSIQNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-14-19(2,3)17-10-9-15(20)13-18(17)21(14)11-12-22-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole?
6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole has a molecular weight of 315.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole is sourced from PubChem (CID 54514499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).