6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

C19H25NO3 — CID 83946794

IUPAC6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
SMILESCC(C)(C)C1CCc2c(c3cccc(C(=O)O)c3n2CCO)C1
InChIInChI=1S/C19H25NO3/c1-19(2,3)12-7-8-16-15(11-12)13-5-4-6-14(18(22)23)17(13)20(16)9-10-21/h4-6,12,21H,7-11H2,1-3H3,(H,22,23)
InChIKeyJENZXBIHDNDJLW-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.48
Rot. Bonds3

About 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 83946794) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
PubChem CID83946794
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
SMILESCC(C)(C)C1CCc2c(c3cccc(C(=O)O)c3n2CCO)C1
InChIInChI=1S/C19H25NO3/c1-19(2,3)12-7-8-16-15(11-12)13-5-4-6-14(18(22)23)17(13)20(16)9-10-21/h4-6,12,21H,7-11H2,1-3H3,(H,22,23)
InChIKeyJENZXBIHDNDJLW-UHFFFAOYSA-N
XLogP3.48
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-9-(3-hydroxypropyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 83946800
6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612165
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
CID 83948271
2-tert-butyl-1,2,3,4-tetrahydroanthracene-9-carboxylic acid
CID 4088431
3-tert-butyl-1,2,3,4-tetrahydrophenanthrene
CID 169291663
9-[(3-carboxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10405518
9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 162426312
2-amino-3-(4-tert-butylpiperidin-1-yl)benzoic acid
CID 115545789
9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10450923
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
5-[(6-carboxy-2-pyridinyl)methyl]-7-hexyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 162532239
9-[(3-methylphenyl)methyl]-6-oxo-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612345

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid (CID 83946794) is 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid is CC(C)(C)C1CCc2c(c3cccc(C(=O)O)c3n2CCO)C1.
What is the InChIKey of 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is JENZXBIHDNDJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(2,3)12-7-8-16-15(11-12)13-5-4-6-14(18(22)23)17(13)20(16)9-10-21/h4-6,12,21H,7-11H2,1-3H3,(H,22,23).
What are the key properties of 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 83946794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).