methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate

C18H19NO3 — CID 132510693

IUPACmethyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate
SMILESCCCCc1cc2[nH]c3ccccc3c2c(C(=O)OC)c1O
InChIInChI=1S/C18H19NO3/c1-3-4-7-11-10-14-15(16(17(11)20)18(21)22-2)12-8-5-6-9-13(12)19-14/h5-6,8-10,19-20H,3-4,7H2,1-2H3
InChIKeyWWDLRTNKKAUJMA-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.16
Rot. Bonds4

About methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate

methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate (PubChem CID 132510693) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate
PubChem CID132510693
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate
SMILESCCCCc1cc2[nH]c3ccccc3c2c(C(=O)OC)c1O
InChIInChI=1S/C18H19NO3/c1-3-4-7-11-10-14-15(16(17(11)20)18(21)22-2)12-8-5-6-9-13(12)19-14/h5-6,8-10,19-20H,3-4,7H2,1-2H3
InChIKeyWWDLRTNKKAUJMA-UHFFFAOYSA-N
XLogP4.16
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl 3-hydroxy-6-(2-hydroxybenzoyl)-4-tetradecylbenzene-1,2-dicarboxylate
CID 56648751
methyl 2-butyl-4-methyl-1H-indole-3-carboxylate
CID 18946677
dimethyl 5-butyl-2-ethyl-4-hydroxybenzene-1,3-dicarboxylate
CID 42640367
3-ethyl-9H-carbazol-4-ol
CID 163569607
methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate
CID 102111455
3-hexadecyl-2-hydroxynaphthalene-1-carboxylic acid
CID 21475806
dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate
CID 11974568
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
ethyl 4-methyl-9H-carbazole-2-carboxylate
CID 14636527
ethyl 4-chloro-9H-carbazole-2-carboxylate
CID 59626415
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
N-butyl-2-(9H-carbazol-2-yloxy)acetamide
CID 7714244

Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate?
The IUPAC name of methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate (CID 132510693) is methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate?
The canonical SMILES for methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate is CCCCc1cc2[nH]c3ccccc3c2c(C(=O)OC)c1O.
What is the InChIKey of methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate?
The InChIKey is WWDLRTNKKAUJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-4-7-11-10-14-15(16(17(11)20)18(21)22-2)12-8-5-6-9-13(12)19-14/h5-6,8-10,19-20H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate?
methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate is sourced from PubChem (CID 132510693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).