4-(chloromethyl)-2-phenyl-1H-indole

C15H12ClN — CID 151772767

IUPAC4-(chloromethyl)-2-phenyl-1H-indole
SMILESClCc1cccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C15H12ClN/c16-10-12-7-4-8-14-13(12)9-15(17-14)11-5-2-1-3-6-11/h1-9,17H,10H2
InChIKeyRSXXRYHJWNEKFK-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.57
Rot. Bonds2

About 4-(chloromethyl)-2-phenyl-1H-indole

4-(chloromethyl)-2-phenyl-1H-indole (PubChem CID 151772767) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(chloromethyl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name4-(chloromethyl)-2-phenyl-1H-indole
PubChem CID151772767
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name4-(chloromethyl)-2-phenyl-1H-indole
SMILESClCc1cccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C15H12ClN/c16-10-12-7-4-8-14-13(12)9-15(17-14)11-5-2-1-3-6-11/h1-9,17H,10H2
InChIKeyRSXXRYHJWNEKFK-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-phenyl-1H-indole?
The IUPAC name of 4-(chloromethyl)-2-phenyl-1H-indole (CID 151772767) is 4-(chloromethyl)-2-phenyl-1H-indole.
What is the SMILES notation for 4-(chloromethyl)-2-phenyl-1H-indole?
The canonical SMILES for 4-(chloromethyl)-2-phenyl-1H-indole is ClCc1cccc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of 4-(chloromethyl)-2-phenyl-1H-indole?
The InChIKey is RSXXRYHJWNEKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-10-12-7-4-8-14-13(12)9-15(17-14)11-5-2-1-3-6-11/h1-9,17H,10H2.
What are the key properties of 4-(chloromethyl)-2-phenyl-1H-indole?
4-(chloromethyl)-2-phenyl-1H-indole has a molecular weight of 241.72 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-phenyl-1H-indole is sourced from PubChem (CID 151772767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).