1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C15H12BrCl2NO — CID 4643646

IUPAC1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CBr)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C15H12BrCl2NO/c16-7-11(20)8-19-14-3-1-9(17)5-12(14)13-6-10(18)2-4-15(13)19/h1-6,11,20H,7-8H2
InChIKeyXGRWYIXMTRKZOS-UHFFFAOYSA-N
MW373.08 g/mol
LogP4.86
Rot. Bonds3

About 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 4643646) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID4643646
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CBr)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C15H12BrCl2NO/c16-7-11(20)8-19-14-3-1-9(17)5-12(14)13-6-10(18)2-4-15(13)19/h1-6,11,20H,7-8H2
InChIKeyXGRWYIXMTRKZOS-UHFFFAOYSA-N
XLogP4.86
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.08
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
CID 7177141
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
1-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-4,6-dimethylpyrimidin-2-one
CID 1351145
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 2274367

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 4643646) is 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is OC(CBr)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is XGRWYIXMTRKZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c16-7-11(20)8-19-14-3-1-9(17)5-12(14)13-6-10(18)2-4-15(13)19/h1-6,11,20H,7-8H2.
What are the key properties of 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 373.08 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 4643646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).