7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole

C18H18ClN — CID 103475068

IUPAC7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
SMILESCc1cc(C)c(Cn2ccc3cccc(Cl)c32)c(C)c1
InChIInChI=1S/C18H18ClN/c1-12-9-13(2)16(14(3)10-12)11-20-8-7-15-5-4-6-17(19)18(15)20/h4-10H,11H2,1-3H3
InChIKeyQXNLSCUKKPBAND-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.27
Rot. Bonds2

About 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole

7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole (PubChem CID 103475068) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole.

Molecular Properties

Compound Name7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
PubChem CID103475068
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
SMILESCc1cc(C)c(Cn2ccc3cccc(Cl)c32)c(C)c1
InChIInChI=1S/C18H18ClN/c1-12-9-13(2)16(14(3)10-12)11-20-8-7-15-5-4-6-17(19)18(15)20/h4-10H,11H2,1-3H3
InChIKeyQXNLSCUKKPBAND-UHFFFAOYSA-N
XLogP5.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
CID 102909906
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole
CID 103474991
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide
CID 103474693
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
CID 103475099
7-chloro-1-(3-methylbut-2-enyl)indole
CID 103474747
7-chloro-1-(ethoxymethyl)indole
CID 103474866
7-chloro-1-(2-methylprop-2-enyl)indole
CID 103474876

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole?
The IUPAC name of 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole (CID 103475068) is 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole.
What is the SMILES notation for 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole?
The canonical SMILES for 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole is Cc1cc(C)c(Cn2ccc3cccc(Cl)c32)c(C)c1.
What is the InChIKey of 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole?
The InChIKey is QXNLSCUKKPBAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-12-9-13(2)16(14(3)10-12)11-20-8-7-15-5-4-6-17(19)18(15)20/h4-10H,11H2,1-3H3.
What are the key properties of 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole?
7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole has a molecular weight of 283.80 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole is sourced from PubChem (CID 103475068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).