4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole

C17H16ClNO2 — CID 117173268

IUPAC4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
SMILESCOc1ccccc1OCc1cc2c(Cl)cccc2n1C
InChIInChI=1S/C17H16ClNO2/c1-19-12(10-13-14(18)6-5-7-15(13)19)11-21-17-9-4-3-8-16(17)20-2/h3-10H,11H2,1-2H3
InChIKeyDAHZHODDQBCFPW-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.42
Rot. Bonds4

About 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole

4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole (PubChem CID 117173268) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole.

Molecular Properties

Compound Name4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
PubChem CID117173268
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
SMILESCOc1ccccc1OCc1cc2c(Cl)cccc2n1C
InChIInChI=1S/C17H16ClNO2/c1-19-12(10-13-14(18)6-5-7-15(13)19)11-21-17-9-4-3-8-16(17)20-2/h3-10H,11H2,1-2H3
InChIKeyDAHZHODDQBCFPW-UHFFFAOYSA-N
XLogP4.42
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
CID 117173387
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
1-ethyl-2-[(2-methoxyphenoxy)methyl]indol-4-ol
CID 117173851
2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117173539
2-[(2-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176716
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865
[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
CID 117179967
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
2-[(2-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117180404
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole?
The IUPAC name of 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole (CID 117173268) is 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole.
What is the SMILES notation for 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole?
The canonical SMILES for 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole is COc1ccccc1OCc1cc2c(Cl)cccc2n1C.
What is the InChIKey of 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole?
The InChIKey is DAHZHODDQBCFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-19-12(10-13-14(18)6-5-7-15(13)19)11-21-17-9-4-3-8-16(17)20-2/h3-10H,11H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole?
4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole has a molecular weight of 301.77 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole is sourced from PubChem (CID 117173268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).