9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole

C20H20ClN — CID 56623019

IUPAC9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)CCCC3
InChIInChI=1S/C20H20ClN/c1-14-5-4-7-18-17-6-2-3-8-19(17)22(20(14)18)13-15-9-11-16(21)12-10-15/h4-5,7,9-12H,2-3,6,8,13H2,1H3
InChIKeyJNUMYWHVYAHGQM-UHFFFAOYSA-N
MW309.84 g/mol
LogP5.53
Rot. Bonds2

About 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole

9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 56623019) has the molecular formula C20H20ClN and a molecular weight of 309.84 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole
PubChem CID56623019
Molecular FormulaC20H20ClN
Molecular Weight309.84 g/mol
Exact Mass309.13
IUPAC Name9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)CCCC3
InChIInChI=1S/C20H20ClN/c1-14-5-4-7-18-17-6-2-3-8-19(17)22(20(14)18)13-15-9-11-16(21)12-10-15/h4-5,7,9-12H,2-3,6,8,13H2,1H3
InChIKeyJNUMYWHVYAHGQM-UHFFFAOYSA-N
XLogP5.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.84
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-[(4-chlorophenyl)methyl]-8-methylsulfinyl-1,2,3,4-tetrahydrocarbazole
CID 78018133
2-[(4-chlorophenyl)methyl]-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine chloride
CID 53314803
9-[3-(4-chlorophenoxy)propyl]-8-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 155511584
9-[(3-carboxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10405518
5-[2-(4-chlorophenyl)ethyl]-2-ethyl-3,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759318
9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole
CID 71145961
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
11-ethyl-7,8,9,10-tetrahydrobenzo[a]carbazole
CID 130355396
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
5-[(2-fluorophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 44564616
[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 101473083

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole (CID 56623019) is 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole is Cc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)CCCC3.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is JNUMYWHVYAHGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN/c1-14-5-4-7-18-17-6-2-3-8-19(17)22(20(14)18)13-15-9-11-16(21)12-10-15/h4-5,7,9-12H,2-3,6,8,13H2,1H3.
What are the key properties of 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole?
9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 309.84 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 56623019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).