methyl 4-(4-carbazol-9-ylbutoxy)benzoate

C24H23NO3 — CID 68934986

IUPACmethyl 4-(4-carbazol-9-ylbutoxy)benzoate
SMILESCOC(=O)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H23NO3/c1-27-24(26)18-12-14-19(15-13-18)28-17-7-6-16-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)25/h2-5,8-15H,6-7,16-17H2,1H3
InChIKeyOHLGENQJWQJAJL-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.44
Rot. Bonds7

About methyl 4-(4-carbazol-9-ylbutoxy)benzoate

methyl 4-(4-carbazol-9-ylbutoxy)benzoate (PubChem CID 68934986) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 4-(4-carbazol-9-ylbutoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-carbazol-9-ylbutoxy)benzoate
PubChem CID68934986
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namemethyl 4-(4-carbazol-9-ylbutoxy)benzoate
SMILESCOC(=O)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H23NO3/c1-27-24(26)18-12-14-19(15-13-18)28-17-7-6-16-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)25/h2-5,8-15H,6-7,16-17H2,1H3
InChIKeyOHLGENQJWQJAJL-UHFFFAOYSA-N
XLogP5.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-O-(20-carbazol-9-ylicosyl) 1-O-methyl benzene-1,4-dicarboxylate
CID 101086038
4-(4-carbazol-9-ylbutoxy)benzoic acid
CID 11631838
butyl 4-[[4-(2-carbazol-9-ylethoxy)phenyl]diazenyl]benzoate
CID 15503762
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189
methyl 3-[4-[9-(3-ethoxy-3-oxopropyl)carbazol-2-yl]oxybutoxy]benzoate
CID 69332805
lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate
CID 160978500
bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
9-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
2-dodecoxy-9-dodecylcarbazole
CID 15163810
methyl 4-[2-[[4-(3-methoxypropyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethoxy]benzoate
CID 55841015

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-carbazol-9-ylbutoxy)benzoate?
The IUPAC name of methyl 4-(4-carbazol-9-ylbutoxy)benzoate (CID 68934986) is methyl 4-(4-carbazol-9-ylbutoxy)benzoate.
What is the SMILES notation for methyl 4-(4-carbazol-9-ylbutoxy)benzoate?
The canonical SMILES for methyl 4-(4-carbazol-9-ylbutoxy)benzoate is COC(=O)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of methyl 4-(4-carbazol-9-ylbutoxy)benzoate?
The InChIKey is OHLGENQJWQJAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-24(26)18-12-14-19(15-13-18)28-17-7-6-16-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)25/h2-5,8-15H,6-7,16-17H2,1H3.
What are the key properties of methyl 4-(4-carbazol-9-ylbutoxy)benzoate?
methyl 4-(4-carbazol-9-ylbutoxy)benzoate has a molecular weight of 373.45 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-carbazol-9-ylbutoxy)benzoate is sourced from PubChem (CID 68934986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).