1-(4-tert-butylphenyl)-2-chloroindole

C18H18ClN — CID 91362505

IUPAC1-(4-tert-butylphenyl)-2-chloroindole
SMILESCC(C)(C)c1ccc(-n2c(Cl)cc3ccccc32)cc1
InChIInChI=1S/C18H18ClN/c1-18(2,3)14-8-10-15(11-9-14)20-16-7-5-4-6-13(16)12-17(20)19/h4-12H,1-3H3
InChIKeyFEEJJXKTQJVIOK-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.58
Rot. Bonds1

About 1-(4-tert-butylphenyl)-2-chloroindole

1-(4-tert-butylphenyl)-2-chloroindole (PubChem CID 91362505) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-chloroindole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-chloroindole
PubChem CID91362505
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name1-(4-tert-butylphenyl)-2-chloroindole
SMILESCC(C)(C)c1ccc(-n2c(Cl)cc3ccccc32)cc1
InChIInChI=1S/C18H18ClN/c1-18(2,3)14-8-10-15(11-9-14)20-16-7-5-4-6-13(16)12-17(20)19/h4-12H,1-3H3
InChIKeyFEEJJXKTQJVIOK-UHFFFAOYSA-N
XLogP5.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-2-chloroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole
CID 59171906
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
ditert-butyl-(1-phenylindol-2-yl)phosphane
CID 11175133
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
1,4-bis(4-tert-butylphenyl)-2,5-bis[2-(3,5-dibromophenyl)phenyl]pyrrolo[3,2-b]pyrrole
CID 132546601
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane
CID 59236792
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-chloroindole?
The IUPAC name of 1-(4-tert-butylphenyl)-2-chloroindole (CID 91362505) is 1-(4-tert-butylphenyl)-2-chloroindole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-chloroindole?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-chloroindole is CC(C)(C)c1ccc(-n2c(Cl)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-chloroindole?
The InChIKey is FEEJJXKTQJVIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-18(2,3)14-8-10-15(11-9-14)20-16-7-5-4-6-13(16)12-17(20)19/h4-12H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-chloroindole?
1-(4-tert-butylphenyl)-2-chloroindole has a molecular weight of 283.80 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-chloroindole is sourced from PubChem (CID 91362505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).