6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

C22H23NO2 — CID 84612353

IUPAC6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESCc1cccc(Cn2c3c(c4cc(C(=O)O)ccc42)CC(C)CC3)c1
InChIInChI=1S/C22H23NO2/c1-14-4-3-5-16(10-14)13-23-20-8-6-15(2)11-18(20)19-12-17(22(24)25)7-9-21(19)23/h3-5,7,9-10,12,15H,6,8,11,13H2,1-2H3,(H,24,25)
InChIKeyLHZISCILOAWGFX-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.82
Rot. Bonds3

About 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (PubChem CID 84612353) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
PubChem CID84612353
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESCc1cccc(Cn2c3c(c4cc(C(=O)O)ccc42)CC(C)CC3)c1
InChIInChI=1S/C22H23NO2/c1-14-4-3-5-16(10-14)13-23-20-8-6-15(2)11-18(20)19-12-17(22(24)25)7-9-21(19)23/h3-5,7,9-10,12,15H,6,8,11,13H2,1-2H3,(H,24,25)
InChIKeyLHZISCILOAWGFX-UHFFFAOYSA-N
XLogP4.82
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
9-(carboxymethyl)-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83948261
N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314
9-[(4-methylphenyl)methyl]-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445340
9-[(3-methylphenyl)methyl]-6-oxo-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612345
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
methyl (6R)-9-[(3-fluorophenyl)methyl]-6-(2-methylpropanoylamino)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57431679
9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688234
ethyl 5-benzyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 68923339
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
1-[[3-[hydroxy(methoxy)methyl]phenyl]methyl]-2,3-dimethylindole-5-carboxylic acid
CID 155061325
9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612231

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The IUPAC name of 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (CID 84612353) is 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.
What is the SMILES notation for 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The canonical SMILES for 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is Cc1cccc(Cn2c3c(c4cc(C(=O)O)ccc42)CC(C)CC3)c1.
What is the InChIKey of 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The InChIKey is LHZISCILOAWGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14-4-3-5-16(10-14)13-23-20-8-6-15(2)11-18(20)19-12-17(22(24)25)7-9-21(19)23/h3-5,7,9-10,12,15H,6,8,11,13H2,1-2H3,(H,24,25).
What are the key properties of 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is sourced from PubChem (CID 84612353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).