methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate

C23H20FNO3 — CID 22738994

IUPACmethyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
SMILESCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3F)c2c1
InChIInChI=1S/C23H20FNO3/c1-3-14-11-19-22(20(26)12-14)21-16(23(27)28-2)8-6-10-18(21)25(19)13-15-7-4-5-9-17(15)24/h4-12,26H,3,13H2,1-2H3
InChIKeyJKYNWMKMMFOZNZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.04
Rot. Bonds4

About methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate

methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate (PubChem CID 22738994) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
PubChem CID22738994
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Namemethyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
SMILESCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3F)c2c1
InChIInChI=1S/C23H20FNO3/c1-3-14-11-19-22(20(26)12-14)21-16(23(27)28-2)8-6-10-18(21)25(19)13-15-7-4-5-9-17(15)24/h4-12,26H,3,13H2,1-2H3
InChIKeyJKYNWMKMMFOZNZ-UHFFFAOYSA-N
XLogP5.04
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
The IUPAC name of methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate (CID 22738994) is methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate.
What is the SMILES notation for methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
The canonical SMILES for methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate is CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3F)c2c1.
What is the InChIKey of methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
The InChIKey is JKYNWMKMMFOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-3-14-11-19-22(20(26)12-14)21-16(23(27)28-2)8-6-10-18(21)25(19)13-15-7-4-5-9-17(15)24/h4-12,26H,3,13H2,1-2H3.
What are the key properties of methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate is sourced from PubChem (CID 22738994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).