5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole

C16H14ClNO — CID 117175045

IUPAC5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
SMILESCc1ccccc1OCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO/c1-11-4-2-3-5-16(11)19-10-12-9-18-15-7-6-13(17)8-14(12)15/h2-9,18H,10H2,1H3
InChIKeyIGWZEUOEDFMTRO-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.71
Rot. Bonds3

About 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole

5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole (PubChem CID 117175045) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
PubChem CID117175045
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
SMILESCc1ccccc1OCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO/c1-11-4-2-3-5-16(11)19-10-12-9-18-15-7-6-13(17)8-14(12)15/h2-9,18H,10H2,1H3
InChIKeyIGWZEUOEDFMTRO-UHFFFAOYSA-N
XLogP4.71
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117185650
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-[(2-fluorophenoxy)methyl]-1H-indol-5-amine
CID 117175051
3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
CID 117185653
2-[(5-amino-1H-indol-3-yl)methoxy]phenol
CID 117175069
5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
CID 150348416
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
3-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185652
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole?
The IUPAC name of 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole (CID 117175045) is 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole is Cc1ccccc1OCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole?
The InChIKey is IGWZEUOEDFMTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-11-4-2-3-5-16(11)19-10-12-9-18-15-7-6-13(17)8-14(12)15/h2-9,18H,10H2,1H3.
What are the key properties of 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole?
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole has a molecular weight of 271.75 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole is sourced from PubChem (CID 117175045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).