5-[(4-chlorophenyl)methyl]-1H-indole

C15H12ClN — CID 22417702

IUPAC5-[(4-chlorophenyl)methyl]-1H-indole
SMILESClc1ccc(Cc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H12ClN/c16-14-4-1-11(2-5-14)9-12-3-6-15-13(10-12)7-8-17-15/h1-8,10,17H,9H2
InChIKeyLGODJOBVQQQJBI-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.41
Rot. Bonds2

About 5-[(4-chlorophenyl)methyl]-1H-indole

5-[(4-chlorophenyl)methyl]-1H-indole (PubChem CID 22417702) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-1H-indole
PubChem CID22417702
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name5-[(4-chlorophenyl)methyl]-1H-indole
SMILESClc1ccc(Cc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H12ClN/c16-14-4-1-11(2-5-14)9-12-3-6-15-13(10-12)7-8-17-15/h1-8,10,17H,9H2
InChIKeyLGODJOBVQQQJBI-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-(1H-imidazol-2-ylmethyl)-1H-indole
CID 66707386
4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline
CID 107631753
3-(1H-indol-5-ylmethyl)benzoic acid
CID 53345393
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
4-chloroaniline;5-chloro-1H-indole;ethene
CID 70508868
N-(2,4-dichlorophenyl)-2-(1H-indol-5-yl)acetamide
CID 110476487
5-(4-methylpentyl)-1H-indole
CID 143660626
2-(1H-indol-5-ylmethoxy)ethanamine
CID 154379316
2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102909199
1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol
CID 81444906
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
5-chloro-1H-indole;pyridine
CID 175095575

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-1H-indole?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-1H-indole (CID 22417702) is 5-[(4-chlorophenyl)methyl]-1H-indole.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1H-indole?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1H-indole is Clc1ccc(Cc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1H-indole?
The InChIKey is LGODJOBVQQQJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-14-4-1-11(2-5-14)9-12-3-6-15-13(10-12)7-8-17-15/h1-8,10,17H,9H2.
What are the key properties of 5-[(4-chlorophenyl)methyl]-1H-indole?
5-[(4-chlorophenyl)methyl]-1H-indole has a molecular weight of 241.72 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-1H-indole is sourced from PubChem (CID 22417702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).