4-(4-carbazol-9-ylbutoxy)benzoic acid

C23H21NO3 — CID 11631838

IUPAC4-(4-carbazol-9-ylbutoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H21NO3/c25-23(26)17-11-13-18(14-12-17)27-16-6-5-15-24-21-9-3-1-7-19(21)20-8-2-4-10-22(20)24/h1-4,7-14H,5-6,15-16H2,(H,25,26)
InChIKeyGTFVPLNQAPEUBZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.35
Rot. Bonds7

About 4-(4-carbazol-9-ylbutoxy)benzoic acid

4-(4-carbazol-9-ylbutoxy)benzoic acid (PubChem CID 11631838) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylbutoxy)benzoic acid.

Molecular Properties

Compound Name4-(4-carbazol-9-ylbutoxy)benzoic acid
PubChem CID11631838
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name4-(4-carbazol-9-ylbutoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H21NO3/c25-23(26)17-11-13-18(14-12-17)27-16-6-5-15-24-21-9-3-1-7-19(21)20-8-2-4-10-22(20)24/h1-4,7-14H,5-6,15-16H2,(H,25,26)
InChIKeyGTFVPLNQAPEUBZ-UHFFFAOYSA-N
XLogP5.35
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-carbazol-9-ylbutoxy)benzoic acid 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

methyl 4-(4-carbazol-9-ylbutoxy)benzoate
CID 68934986
4-(9-octylcarbazol-3-yl)oxycarbonylbenzoic acid
CID 175213708
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
CID 58948689
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
butyl 4-[[4-(2-carbazol-9-ylethoxy)phenyl]diazenyl]benzoate
CID 15503762
(2S)-3-[4-(3-carbazol-9-ylpropoxy)phenyl]-2-ethoxypropanoic acid
CID 70120871
9-octadecyl-2-octoxycarbazole
CID 15163807
2-dodecoxy-9-dodecylcarbazole
CID 15163810
2-octoxy-9-octylcarbazole
CID 15163804
4-[4-(2,4,5-triphenylimidazol-1-yl)butoxy]benzoic acid
CID 22916453
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylbutoxy)benzoic acid?
The IUPAC name of 4-(4-carbazol-9-ylbutoxy)benzoic acid (CID 11631838) is 4-(4-carbazol-9-ylbutoxy)benzoic acid.
What is the SMILES notation for 4-(4-carbazol-9-ylbutoxy)benzoic acid?
The canonical SMILES for 4-(4-carbazol-9-ylbutoxy)benzoic acid is O=C(O)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylbutoxy)benzoic acid?
The InChIKey is GTFVPLNQAPEUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-23(26)17-11-13-18(14-12-17)27-16-6-5-15-24-21-9-3-1-7-19(21)20-8-2-4-10-22(20)24/h1-4,7-14H,5-6,15-16H2,(H,25,26).
What are the key properties of 4-(4-carbazol-9-ylbutoxy)benzoic acid?
4-(4-carbazol-9-ylbutoxy)benzoic acid has a molecular weight of 359.43 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylbutoxy)benzoic acid is sourced from PubChem (CID 11631838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).