4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

C14H15NO4 — CID 84638532

IUPAC4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCOc1ccc2[nH]c3c(c2c1)C(O)CC(C(=O)O)C3
InChIInChI=1S/C14H15NO4/c1-19-8-2-3-10-9(6-8)13-11(15-10)4-7(14(17)18)5-12(13)16/h2-3,6-7,12,15-16H,4-5H2,1H3,(H,17,18)
InChIKeyUJFNMHKVEGPQEE-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.86
Rot. Bonds2

About 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (PubChem CID 84638532) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
PubChem CID84638532
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCOc1ccc2[nH]c3c(c2c1)C(O)CC(C(=O)O)C3
InChIInChI=1S/C14H15NO4/c1-19-8-2-3-10-9(6-8)13-11(15-10)4-7(14(17)18)5-12(13)16/h2-3,6-7,12,15-16H,4-5H2,1H3,(H,17,18)
InChIKeyUJFNMHKVEGPQEE-UHFFFAOYSA-N
XLogP1.86
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.86
H-Bond Donors ≤ 53
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-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
CID 140799634
6-methoxy-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
CID 65333336
4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 84641761
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide
CID 84580174
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 84638099
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65332552
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452714
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The IUPAC name of 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (CID 84638532) is 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is COc1ccc2[nH]c3c(c2c1)C(O)CC(C(=O)O)C3.
What is the InChIKey of 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The InChIKey is UJFNMHKVEGPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-8-2-3-10-9(6-8)13-11(15-10)4-7(14(17)18)5-12(13)16/h2-3,6-7,12,15-16H,4-5H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is sourced from PubChem (CID 84638532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).