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

C17H16ClNO — CID 117176751

IUPAC5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
SMILESCc1cccc(OCc2cc3cc(Cl)ccc3n2C)c1
InChIInChI=1S/C17H16ClNO/c1-12-4-3-5-16(8-12)20-11-15-10-13-9-14(18)6-7-17(13)19(15)2/h3-10H,11H2,1-2H3
InChIKeyZNAQKDCDPDIFCO-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.72
Rot. Bonds3

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

5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole (PubChem CID 117176751) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
PubChem CID117176751
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
SMILESCc1cccc(OCc2cc3cc(Cl)ccc3n2C)c1
InChIInChI=1S/C17H16ClNO/c1-12-4-3-5-16(8-12)20-11-15-10-13-9-14(18)6-7-17(13)19(15)2/h3-10H,11H2,1-2H3
InChIKeyZNAQKDCDPDIFCO-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

5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
CID 117176538
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176763
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
CID 117185409
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole?
The IUPAC name of 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole (CID 117176751) is 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole.
What is the SMILES notation for 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole?
The canonical SMILES for 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole is Cc1cccc(OCc2cc3cc(Cl)ccc3n2C)c1.
What is the InChIKey of 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole?
The InChIKey is ZNAQKDCDPDIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-4-3-5-16(8-12)20-11-15-10-13-9-14(18)6-7-17(13)19(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole?
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole 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 5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole is sourced from PubChem (CID 117176751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).