1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone

C20H15O2P — CID 102218136

IUPAC1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C20H15O2P/c1-14(21)15-11-12-18-17-9-5-6-10-19(17)23(22,20(18)13-15)16-7-3-2-4-8-16/h2-13H,1H3
InChIKeyCARDSQDOUDQKNA-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.51
Rot. Bonds2

About 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone

1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone (PubChem CID 102218136) has the molecular formula C20H15O2P and a molecular weight of 318.31 g/mol. Its IUPAC name is 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone
PubChem CID102218136
Molecular FormulaC20H15O2P
Molecular Weight318.31 g/mol
Exact Mass318.08
IUPAC Name1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C20H15O2P/c1-14(21)15-11-12-18-17-9-5-6-10-19(17)23(22,20(18)13-15)16-7-3-2-4-8-16/h2-13H,1H3
InChIKeyCARDSQDOUDQKNA-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone
CID 132600999
(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide
CID 139135915
2-(5-oxobenzo[b]phosphindol-5-yl)phenol
CID 121248397
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-(9,9-difluorofluoren-2-yl)ethanone
CID 145082433
(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid
CID 155666222
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
(5-oxobenzo[b]phosphindol-5-yl)-phenylmethanone
CID 54223358
5-oxo-5-phenylbenzo[b]phosphindole-2,8-disulfonic acid
CID 101209121
1-(9-bromo-9H-fluoren-2-yl)ethanone
CID 15475040
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone?
The IUPAC name of 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone (CID 102218136) is 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone?
The canonical SMILES for 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone is CC(=O)c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone?
The InChIKey is CARDSQDOUDQKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15O2P/c1-14(21)15-11-12-18-17-9-5-6-10-19(17)23(22,20(18)13-15)16-7-3-2-4-8-16/h2-13H,1H3.
What are the key properties of 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone?
1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone has a molecular weight of 318.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-5-phenylbenzo[b]phosphindol-3-yl)ethanone is sourced from PubChem (CID 102218136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).