3-(3-bromocarbazol-9-yl)propane-1,2-diol

C15H14BrNO2 — CID 3273052

IUPAC3-(3-bromocarbazol-9-yl)propane-1,2-diol
SMILESOCC(O)Cn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C15H14BrNO2/c16-10-5-6-15-13(7-10)12-3-1-2-4-14(12)17(15)8-11(19)9-18/h1-7,11,18-19H,8-9H2
InChIKeyZUKJWWYULCYWHY-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.91
Rot. Bonds3

About 3-(3-bromocarbazol-9-yl)propane-1,2-diol

3-(3-bromocarbazol-9-yl)propane-1,2-diol (PubChem CID 3273052) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-(3-bromocarbazol-9-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-bromocarbazol-9-yl)propane-1,2-diol
PubChem CID3273052
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-(3-bromocarbazol-9-yl)propane-1,2-diol
SMILESOCC(O)Cn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C15H14BrNO2/c16-10-5-6-15-13(7-10)12-3-1-2-4-14(12)17(15)8-11(19)9-18/h1-7,11,18-19H,8-9H2
InChIKeyZUKJWWYULCYWHY-UHFFFAOYSA-N
XLogP2.91
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylamino)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 3125888
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
(S)-wiskostatin
CID 448668
3,6-Dibromo-9-(2-hydroxy-3-morpholinopropyl)carbazole
CID 567942
1-(3,6-Dibromocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802127
1-Tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2874780
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
3,6-dibromo-9-((oxiran-2-yl)methyl)-9H-carbazole
CID 2775473
3,6-Dibromo-alpha-[(phenylamino)methyl]-9H-carbazole-9-ethanol
CID 2836187
1-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-ol
CID 2854573
Carbazole-9-ethanol
CID 228287
3,6-Dibromo-9-ethylcarbazole
CID 631855

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromocarbazol-9-yl)propane-1,2-diol?
The IUPAC name of 3-(3-bromocarbazol-9-yl)propane-1,2-diol (CID 3273052) is 3-(3-bromocarbazol-9-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-bromocarbazol-9-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-bromocarbazol-9-yl)propane-1,2-diol is OCC(O)Cn1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 3-(3-bromocarbazol-9-yl)propane-1,2-diol?
The InChIKey is ZUKJWWYULCYWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-10-5-6-15-13(7-10)12-3-1-2-4-14(12)17(15)8-11(19)9-18/h1-7,11,18-19H,8-9H2.
What are the key properties of 3-(3-bromocarbazol-9-yl)propane-1,2-diol?
3-(3-bromocarbazol-9-yl)propane-1,2-diol has a molecular weight of 320.19 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromocarbazol-9-yl)propane-1,2-diol is sourced from PubChem (CID 3273052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).