2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole

C17H16ClNO — CID 117184865

IUPAC2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
SMILESCc1cccc2c1cc(COc1ccc(Cl)cc1)n2C
InChIInChI=1S/C17H16ClNO/c1-12-4-3-5-17-16(12)10-14(19(17)2)11-20-15-8-6-13(18)7-9-15/h3-10H,11H2,1-2H3
InChIKeyAZJHSZCFFFOJJG-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.72
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole

2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole (PubChem CID 117184865) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
PubChem CID117184865
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
SMILESCc1cccc2c1cc(COc1ccc(Cl)cc1)n2C
InChIInChI=1S/C17H16ClNO/c1-12-4-3-5-17-16(12)10-14(19(17)2)11-20-15-8-6-13(18)7-9-15/h3-10H,11H2,1-2H3
InChIKeyAZJHSZCFFFOJJG-UHFFFAOYSA-N
XLogP4.72
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
CID 117173387
(1,4-dimethylindol-2-yl)methanol
CID 117120333
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
2-[(4-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180250
4-fluoro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173305
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
CID 117173268
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
CID 117186319

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole (CID 117184865) is 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole is Cc1cccc2c1cc(COc1ccc(Cl)cc1)n2C.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole?
The InChIKey is AZJHSZCFFFOJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-4-3-5-17-16(12)10-14(19(17)2)11-20-15-8-6-13(18)7-9-15/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole?
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole has a molecular weight of 285.77 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole is sourced from PubChem (CID 117184865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).