3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole

C15H12BrNO2 — CID 59032961

IUPAC3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole
SMILESBrc1ccc2[nH]c3ccccc3c2c1OC[C@@H]1CO1
InChIInChI=1S/C15H12BrNO2/c16-11-5-6-13-14(15(11)19-8-9-7-18-9)10-3-1-2-4-12(10)17-13/h1-6,9,17H,7-8H2/t9-/m0/s1
InChIKeyWCOREASQWIDVSU-VIFPVBQESA-N
MW318.17 g/mol
LogP3.86
Rot. Bonds3

About 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole

3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole (PubChem CID 59032961) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole.

Molecular Properties

Compound Name3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole
PubChem CID59032961
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole
SMILESBrc1ccc2[nH]c3ccccc3c2c1OC[C@@H]1CO1
InChIInChI=1S/C15H12BrNO2/c16-11-5-6-13-14(15(11)19-8-9-7-18-9)10-3-1-2-4-12(10)17-13/h1-6,9,17H,7-8H2/t9-/m0/s1
InChIKeyWCOREASQWIDVSU-VIFPVBQESA-N
XLogP3.86
TPSA37.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole
CID 72711827
2-[[2,3,5,6-tetrabromo-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 57190292
3-[3-(oxiran-2-yl)propoxy]-9H-carbazole
CID 72711828
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
2-[(2,3,4,5,6-pentabromophenoxy)methyl]oxirane
CID 71364739
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
2-methyl-4-[[(2S)-oxiran-2-yl]methoxy]-1H-indole;sulfane
CID 158839388
2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane
CID 139750661
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-(oxolan-2-ylmethoxy)-9H-carbazole
CID 156775567
2-[[2-[[10-[[3,5-dimethyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]-4,6-dimethylphenoxy]methyl]oxirane
CID 102426138
4-bromo-1-ethoxy-9H-carbazole
CID 69306295

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole?
The IUPAC name of 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole (CID 59032961) is 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole.
What is the SMILES notation for 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole?
The canonical SMILES for 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole is Brc1ccc2[nH]c3ccccc3c2c1OC[C@@H]1CO1.
What is the InChIKey of 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole?
The InChIKey is WCOREASQWIDVSU-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-11-5-6-13-14(15(11)19-8-9-7-18-9)10-3-1-2-4-12(10)17-13/h1-6,9,17H,7-8H2/t9-/m0/s1.
What are the key properties of 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole?
3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole has a molecular weight of 318.17 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[(2S)-oxiran-2-yl]methoxy]-9H-carbazole is sourced from PubChem (CID 59032961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).