9H-carbazol-3-yl benzoate

C19H13NO2 — CID 142723701

IUPAC9H-carbazol-3-yl benzoate
SMILESO=C(Oc1ccc2[nH]c3ccccc3c2c1)c1ccccc1
InChIInChI=1S/C19H13NO2/c21-19(13-6-2-1-3-7-13)22-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,20H
InChIKeyRXKIXVSKTIHMCN-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.54
Rot. Bonds2

About 9H-carbazol-3-yl benzoate

9H-carbazol-3-yl benzoate (PubChem CID 142723701) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 9H-carbazol-3-yl benzoate.

Molecular Properties

Compound Name9H-carbazol-3-yl benzoate
PubChem CID142723701
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name9H-carbazol-3-yl benzoate
SMILESO=C(Oc1ccc2[nH]c3ccccc3c2c1)c1ccccc1
InChIInChI=1S/C19H13NO2/c21-19(13-6-2-1-3-7-13)22-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,20H
InChIKeyRXKIXVSKTIHMCN-UHFFFAOYSA-N
XLogP4.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;9H-carbazole
CID 162147282
9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 142723697
9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate
CID 142723689
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
2H-benzotriazol-5-yl benzoate
CID 20670774
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
(10,15,20-tribenzoyloxy-21,23-dihydroporphyrin-5-yl) benzoate
CID 136908142
9H-carbazol-3-yl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 142723711
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549
(4-benzoyloxy-3-bromophenyl) benzoate
CID 1103889

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-3-yl benzoate?
The IUPAC name of 9H-carbazol-3-yl benzoate (CID 142723701) is 9H-carbazol-3-yl benzoate.
What is the SMILES notation for 9H-carbazol-3-yl benzoate?
The canonical SMILES for 9H-carbazol-3-yl benzoate is O=C(Oc1ccc2[nH]c3ccccc3c2c1)c1ccccc1.
What is the InChIKey of 9H-carbazol-3-yl benzoate?
The InChIKey is RXKIXVSKTIHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c21-19(13-6-2-1-3-7-13)22-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,20H.
What are the key properties of 9H-carbazol-3-yl benzoate?
9H-carbazol-3-yl benzoate has a molecular weight of 287.32 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-3-yl benzoate is sourced from PubChem (CID 142723701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).