9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole

C17H16ClNO — CID 13438987

IUPAC9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole
SMILESClCC1(Cn2c3ccccc3c3ccccc32)COC1
InChIInChI=1S/C17H16ClNO/c18-9-17(11-20-12-17)10-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2
InChIKeyCJZGDKHQRVRGNH-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.05
Rot. Bonds3

About 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole

9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole (PubChem CID 13438987) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole.

Molecular Properties

Compound Name9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole
PubChem CID13438987
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole
SMILESClCC1(Cn2c3ccccc3c3ccccc32)COC1
InChIInChI=1S/C17H16ClNO/c18-9-17(11-20-12-17)10-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2
InChIKeyCJZGDKHQRVRGNH-UHFFFAOYSA-N
XLogP4.05
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole?
The IUPAC name of 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole (CID 13438987) is 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole.
What is the SMILES notation for 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole?
The canonical SMILES for 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole is ClCC1(Cn2c3ccccc3c3ccccc32)COC1.
What is the InChIKey of 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole?
The InChIKey is CJZGDKHQRVRGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-9-17(11-20-12-17)10-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2.
What are the key properties of 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole?
9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole has a molecular weight of 285.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(chloromethyl)oxetan-3-yl]methyl]carbazole is sourced from PubChem (CID 13438987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).