9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one

C20H16BrNO3 — CID 151451674

IUPAC9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one
SMILESO=C1c2cc(Br)c(O)cc2C2(CCOCC2)c2[nH]c3ccccc3c21
InChIInChI=1S/C20H16BrNO3/c21-14-9-12-13(10-16(14)23)20(5-7-25-8-6-20)19-17(18(12)24)11-3-1-2-4-15(11)22-19/h1-4,9-10,22-23H,5-8H2
InChIKeyPGPPWDUCEWLDSZ-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.28
Rot. Bonds

About 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one

9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one (PubChem CID 151451674) has the molecular formula C20H16BrNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one.

Molecular Properties

Compound Name9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one
PubChem CID151451674
Molecular FormulaC20H16BrNO3
Molecular Weight398.26 g/mol
Exact Mass397.03
IUPAC Name9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one
SMILESO=C1c2cc(Br)c(O)cc2C2(CCOCC2)c2[nH]c3ccccc3c21
InChIInChI=1S/C20H16BrNO3/c21-14-9-12-13(10-16(14)23)20(5-7-25-8-6-20)19-17(18(12)24)11-3-1-2-4-15(11)22-19/h1-4,9-10,22-23H,5-8H2
InChIKeyPGPPWDUCEWLDSZ-UHFFFAOYSA-N
XLogP4.28
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one?
The IUPAC name of 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one (CID 151451674) is 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one.
What is the SMILES notation for 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one?
The canonical SMILES for 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one is O=C1c2cc(Br)c(O)cc2C2(CCOCC2)c2[nH]c3ccccc3c21.
What is the InChIKey of 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one?
The InChIKey is PGPPWDUCEWLDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO3/c21-14-9-12-13(10-16(14)23)20(5-7-25-8-6-20)19-17(18(12)24)11-3-1-2-4-15(11)22-19/h1-4,9-10,22-23H,5-8H2.
What are the key properties of 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one?
9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one has a molecular weight of 398.26 g/mol, XLogP of 4.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-8-hydroxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one is sourced from PubChem (CID 151451674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).