methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate

C25H25NO3 — CID 142148686

IUPACmethyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate
SMILESCCc1cc2c(c(O)c1CC)c1c(C(=O)OC)cccc1n2Cc1ccccc1
InChIInChI=1S/C25H25NO3/c1-4-17-14-21-23(24(27)18(17)5-2)22-19(25(28)29-3)12-9-13-20(22)26(21)15-16-10-7-6-8-11-16/h6-14,27H,4-5,15H2,1-3H3
InChIKeyGDUDZDREALUZJV-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.46
Rot. Bonds5

About methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate

methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate (PubChem CID 142148686) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate
PubChem CID142148686
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namemethyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate
SMILESCCc1cc2c(c(O)c1CC)c1c(C(=O)OC)cccc1n2Cc1ccccc1
InChIInChI=1S/C25H25NO3/c1-4-17-14-21-23(24(27)18(17)5-2)22-19(25(28)29-3)12-9-13-20(22)26(21)15-16-10-7-6-8-11-16/h6-14,27H,4-5,15H2,1-3H3
InChIKeyGDUDZDREALUZJV-UHFFFAOYSA-N
XLogP5.46
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate?
The IUPAC name of methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate (CID 142148686) is methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate.
What is the SMILES notation for methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate?
The canonical SMILES for methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate is CCc1cc2c(c(O)c1CC)c1c(C(=O)OC)cccc1n2Cc1ccccc1.
What is the InChIKey of methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate?
The InChIKey is GDUDZDREALUZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-4-17-14-21-23(24(27)18(17)5-2)22-19(25(28)29-3)12-9-13-20(22)26(21)15-16-10-7-6-8-11-16/h6-14,27H,4-5,15H2,1-3H3.
What are the key properties of methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate?
methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate is sourced from PubChem (CID 142148686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).