phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate

C23H15NO3 — CID 19933809

IUPACphenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
SMILESO=C(Oc1ccccc1)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C23H15NO3/c25-21-13-18-14(12-19(21)23(26)27-15-6-2-1-3-7-15)10-11-17-16-8-4-5-9-20(16)24-22(17)18/h1-13,24-25H
InChIKeyZBCFCEPPGMBPNT-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.40
Rot. Bonds2

About phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate

phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate (PubChem CID 19933809) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate.

Molecular Properties

Compound Namephenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
PubChem CID19933809
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Namephenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
SMILESO=C(Oc1ccccc1)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C23H15NO3/c25-21-13-18-14(12-19(21)23(26)27-15-6-2-1-3-7-15)10-11-17-16-8-4-5-9-20(16)24-22(17)18/h1-13,24-25H
InChIKeyZBCFCEPPGMBPNT-UHFFFAOYSA-N
XLogP5.40
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
CID 44579437
3-amino-11H-benzo[a]carbazol-2-ol
CID 135394460
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
11H-benzo[a]carbazol-2-yl 5-amino-2-bromobenzoate
CID 67906965
11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate
CID 67915904
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
2-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-11H-benzo[a]carbazole-3-carboxamide
CID 137495996
2-(2-hydroxy-11H-benzo[a]carbazol-3-yl)-N-(4-methoxyphenyl)acetamide
CID 139771930
potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate
CID 23722869
2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane
CID 159621347
potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate
CID 139681652

Frequently Asked Questions

What is the IUPAC name of phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate?
The IUPAC name of phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate (CID 19933809) is phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate.
What is the SMILES notation for phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate?
The canonical SMILES for phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate is O=C(Oc1ccccc1)c1cc2ccc3c4ccccc4[nH]c3c2cc1O.
What is the InChIKey of phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate?
The InChIKey is ZBCFCEPPGMBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c25-21-13-18-14(12-19(21)23(26)27-15-6-2-1-3-7-15)10-11-17-16-8-4-5-9-20(16)24-22(17)18/h1-13,24-25H.
What are the key properties of phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate?
phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate is sourced from PubChem (CID 19933809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).