5-chloro-1-[(3,4-dimethylphenyl)methyl]indole

C17H16ClN — CID 116623337

IUPAC5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3cc(Cl)ccc32)cc1C
InChIInChI=1S/C17H16ClN/c1-12-3-4-14(9-13(12)2)11-19-8-7-15-10-16(18)5-6-17(15)19/h3-10H,11H2,1-2H3
InChIKeyASCKZSOXLZFMOT-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.96
Rot. Bonds2

About 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole

5-chloro-1-[(3,4-dimethylphenyl)methyl]indole (PubChem CID 116623337) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole.

Molecular Properties

Compound Name5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
PubChem CID116623337
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3cc(Cl)ccc32)cc1C
InChIInChI=1S/C17H16ClN/c1-12-3-4-14(9-13(12)2)11-19-8-7-15-10-16(18)5-6-17(15)19/h3-10H,11H2,1-2H3
InChIKeyASCKZSOXLZFMOT-UHFFFAOYSA-N
XLogP4.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole?
The IUPAC name of 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole (CID 116623337) is 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole.
What is the SMILES notation for 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole?
The canonical SMILES for 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole is Cc1ccc(Cn2ccc3cc(Cl)ccc32)cc1C.
What is the InChIKey of 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole?
The InChIKey is ASCKZSOXLZFMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-12-3-4-14(9-13(12)2)11-19-8-7-15-10-16(18)5-6-17(15)19/h3-10H,11H2,1-2H3.
What are the key properties of 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole?
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole has a molecular weight of 269.78 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole is sourced from PubChem (CID 116623337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).