6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid

C16H15NO5 — CID 110181566

IUPAC6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
SMILESCOc1cc2c([nH]c3cc(C(=O)O)ccc32)c(OC)c1OC
InChIInChI=1S/C16H15NO5/c1-20-12-7-10-9-5-4-8(16(18)19)6-11(9)17-13(10)15(22-3)14(12)21-2/h4-7,17H,1-3H3,(H,18,19)
InChIKeyHXKCUNBKBNSRRQ-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.05
Rot. Bonds4

About 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid

6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid (PubChem CID 110181566) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
PubChem CID110181566
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
SMILESCOc1cc2c([nH]c3cc(C(=O)O)ccc32)c(OC)c1OC
InChIInChI=1S/C16H15NO5/c1-20-12-7-10-9-5-4-8(16(18)19)6-11(9)17-13(10)15(22-3)14(12)21-2/h4-7,17H,1-3H3,(H,18,19)
InChIKeyHXKCUNBKBNSRRQ-UHFFFAOYSA-N
XLogP3.05
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
CID 175513931
2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
CID 121473005
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 3439773
3,4-dimethoxybenzoic acid;methanol
CID 144580050
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid?
The IUPAC name of 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid (CID 110181566) is 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid.
What is the SMILES notation for 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid?
The canonical SMILES for 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid is COc1cc2c([nH]c3cc(C(=O)O)ccc32)c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid?
The InChIKey is HXKCUNBKBNSRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-12-7-10-9-5-4-8(16(18)19)6-11(9)17-13(10)15(22-3)14(12)21-2/h4-7,17H,1-3H3,(H,18,19).
What are the key properties of 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid?
6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid is sourced from PubChem (CID 110181566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).