methyl 2-carbazol-9-ylbenzoate

C20H15NO2 — CID 45071617

IUPACmethyl 2-carbazol-9-ylbenzoate
SMILESCOC(=O)c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H15NO2/c1-23-20(22)16-10-4-7-13-19(16)21-17-11-5-2-8-14(17)15-9-3-6-12-18(15)21/h2-13H,1H3
InChIKeyFLMRJQDGQRDSPP-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.57
Rot. Bonds2

About methyl 2-carbazol-9-ylbenzoate

methyl 2-carbazol-9-ylbenzoate (PubChem CID 45071617) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 2-carbazol-9-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-carbazol-9-ylbenzoate
PubChem CID45071617
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-carbazol-9-ylbenzoate
SMILESCOC(=O)c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H15NO2/c1-23-20(22)16-10-4-7-13-19(16)21-17-11-5-2-8-14(17)15-9-3-6-12-18(15)21/h2-13H,1H3
InChIKeyFLMRJQDGQRDSPP-UHFFFAOYSA-N
XLogP4.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-carbazol-9-ylbenzoate?
The IUPAC name of methyl 2-carbazol-9-ylbenzoate (CID 45071617) is methyl 2-carbazol-9-ylbenzoate.
What is the SMILES notation for methyl 2-carbazol-9-ylbenzoate?
The canonical SMILES for methyl 2-carbazol-9-ylbenzoate is COC(=O)c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of methyl 2-carbazol-9-ylbenzoate?
The InChIKey is FLMRJQDGQRDSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-23-20(22)16-10-4-7-13-19(16)21-17-11-5-2-8-14(17)15-9-3-6-12-18(15)21/h2-13H,1H3.
What are the key properties of methyl 2-carbazol-9-ylbenzoate?
methyl 2-carbazol-9-ylbenzoate has a molecular weight of 301.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbazol-9-ylbenzoate is sourced from PubChem (CID 45071617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).