2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid

C18H13NO3 — CID 44579438

IUPAC2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid
SMILESCn1c2ccccc2c2ccc3cc(C(=O)O)c(O)cc3c21
InChIInChI=1S/C18H13NO3/c1-19-15-5-3-2-4-11(15)12-7-6-10-8-14(18(21)22)16(20)9-13(10)17(12)19/h2-9,20H,1H3,(H,21,22)
InChIKeyDAYWTAHLWJTMOD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.89
Rot. Bonds1

About 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid

2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid (PubChem CID 44579438) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid
PubChem CID44579438
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid
SMILESCn1c2ccccc2c2ccc3cc(C(=O)O)c(O)cc3c21
InChIInChI=1S/C18H13NO3/c1-19-15-5-3-2-4-11(15)12-7-6-10-8-14(18(21)22)16(20)9-13(10)17(12)19/h2-9,20H,1H3,(H,21,22)
InChIKeyDAYWTAHLWJTMOD-UHFFFAOYSA-N
XLogP3.89
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid?
The IUPAC name of 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid (CID 44579438) is 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid.
What is the SMILES notation for 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid?
The canonical SMILES for 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid is Cn1c2ccccc2c2ccc3cc(C(=O)O)c(O)cc3c21.
What is the InChIKey of 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid?
The InChIKey is DAYWTAHLWJTMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-19-15-5-3-2-4-11(15)12-7-6-10-8-14(18(21)22)16(20)9-13(10)17(12)19/h2-9,20H,1H3,(H,21,22).
What are the key properties of 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid?
2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-11-methylbenzo[a]carbazole-3-carboxylic acid is sourced from PubChem (CID 44579438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).