3-[(2-chlorophenoxy)methyl]-1-methylindole

C16H14ClNO — CID 117171277

IUPAC3-[(2-chlorophenoxy)methyl]-1-methylindole
SMILESCn1cc(COc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H14ClNO/c1-18-10-12(13-6-2-4-8-15(13)18)11-19-16-9-5-3-7-14(16)17/h2-10H,11H2,1H3
InChIKeyVWEVAEKNBLSWPO-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.41
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]-1-methylindole

3-[(2-chlorophenoxy)methyl]-1-methylindole (PubChem CID 117171277) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-1-methylindole.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-1-methylindole
PubChem CID117171277
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name3-[(2-chlorophenoxy)methyl]-1-methylindole
SMILESCn1cc(COc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H14ClNO/c1-18-10-12(13-6-2-4-8-15(13)18)11-19-16-9-5-3-7-14(16)17/h2-10H,11H2,1H3
InChIKeyVWEVAEKNBLSWPO-UHFFFAOYSA-N
XLogP4.41
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-1-methylindole
CID 18711466
3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
CID 117185740
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
CID 117171302
[3-[(2-methoxyphenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117174896
3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine
CID 117181881
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine
CID 126543976
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
3-(2-bromoethyl)-1-methylindole
CID 13153306

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-1-methylindole?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-1-methylindole (CID 117171277) is 3-[(2-chlorophenoxy)methyl]-1-methylindole.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-1-methylindole?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-1-methylindole is Cn1cc(COc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-1-methylindole?
The InChIKey is VWEVAEKNBLSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-18-10-12(13-6-2-4-8-15(13)18)11-19-16-9-5-3-7-14(16)17/h2-10H,11H2,1H3.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-1-methylindole?
3-[(2-chlorophenoxy)methyl]-1-methylindole has a molecular weight of 271.75 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-1-methylindole is sourced from PubChem (CID 117171277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).