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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-bromo-8-methoxy-11-oxospiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile
CID 66834709
3-(aminomethyl)-9-bromo-8-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[5H-benzo[b]carbazole-6,4'-oxane]-11-one
CID 167193742
8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 141282919
8-(2-bromoethoxy)-11-oxospiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile
CID 125498118
8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]spiro[5H-benzo[b]carbazole-6,1'-cyclopentane]-11-one
CID 118670082
3-methanimidoyl-11-oxo-8-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[5H-benzo[b]carbazole-6,4'-oxane]-9-carbonitrile
CID 147115561
8-morpholin-4-yl-5,6-dihydrobenzo[b]carbazol-11-one
CID 123740980
3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 166070496
5H-indeno[1,2-b]indol-10-one
CID 2785776
8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 134375929
1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine
CID 148688233
9-bromo-8-methoxy-11-oxospiro[7,8-dihydro-5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile
CID 135211265

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).