methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate

C24H23NO3 — CID 70955551

IUPACmethyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(CCCc3ccccc3OC)c2c1
InChIInChI=1S/C24H23NO3/c1-27-23-12-6-3-8-17(23)9-7-15-25-21-11-5-4-10-19(21)20-14-13-18(16-22(20)25)24(26)28-2/h3-6,8,10-14,16H,7,9,15H2,1-2H3
InChIKeyLHFYHWYEVLMVOG-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.22
Rot. Bonds6

About methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate

methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate (PubChem CID 70955551) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate
PubChem CID70955551
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namemethyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(CCCc3ccccc3OC)c2c1
InChIInChI=1S/C24H23NO3/c1-27-23-12-6-3-8-17(23)9-7-15-25-21-11-5-4-10-19(21)20-14-13-18(16-22(20)25)24(26)28-2/h3-6,8,10-14,16H,7,9,15H2,1-2H3
InChIKeyLHFYHWYEVLMVOG-UHFFFAOYSA-N
XLogP5.22
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-(20-carbazol-9-ylicosyl) 1-O-methyl benzene-1,4-dicarboxylate
CID 101086038
methyl 4-(4-carbazol-9-ylbutoxy)benzoate
CID 68934986
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
9-[4-[6-(4-carbazol-9-ylbutyl)-3,8-diethylpyren-1-yl]butyl]carbazole
CID 122222066
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
9-(2-methoxyethyl)-N-(3-methoxyphenyl)carbazole-2-carboxamide
CID 90731870
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one
CID 11575101
methyl 3-[4-[9-(3-ethoxy-3-oxopropyl)carbazol-2-yl]oxybutoxy]benzoate
CID 69332805
methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166836
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361

Frequently Asked Questions

What is the IUPAC name of methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate?
The IUPAC name of methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate (CID 70955551) is methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate.
What is the SMILES notation for methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate?
The canonical SMILES for methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate is COC(=O)c1ccc2c3ccccc3n(CCCc3ccccc3OC)c2c1.
What is the InChIKey of methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate?
The InChIKey is LHFYHWYEVLMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-23-12-6-3-8-17(23)9-7-15-25-21-11-5-4-10-19(21)20-14-13-18(16-22(20)25)24(26)28-2/h3-6,8,10-14,16H,7,9,15H2,1-2H3.
What are the key properties of methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate?
methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate is sourced from PubChem (CID 70955551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).