2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol

C15H15O3P — CID 20662902

IUPAC2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
SMILESCC(CO)P1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H15O3P/c1-11(10-16)19(17)15-9-5-3-7-13(15)12-6-2-4-8-14(12)18-19/h2-9,11,16H,10H2,1H3
InChIKeyBGHBCITZQLYNAP-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.03
Rot. Bonds2

About 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol

2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol (PubChem CID 20662902) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
PubChem CID20662902
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Name2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
SMILESCC(CO)P1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H15O3P/c1-11(10-16)19(17)15-9-5-3-7-13(15)12-6-2-4-8-14(12)18-19/h2-9,11,16H,10H2,1H3
InChIKeyBGHBCITZQLYNAP-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-butan-2-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 71018079
2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 14686892
ethane;2-[1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 159602454
6-hexan-3-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 130416777
N-butyl-N-[2-methyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]hydroxylamine
CID 146515346
3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
CID 20662894
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122684857
1-[(2E)-2-ethylidene-4-methylpent-3-enyl]-3,5-bis[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 173381620
furan-2-yl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 14686894
[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 126498091
(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 14686914
4-[[4-hydroxy-3-[(4-hydroxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]-2-[(4-hydroxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 149359269

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
The IUPAC name of 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol (CID 20662902) is 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol.
What is the SMILES notation for 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
The canonical SMILES for 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol is CC(CO)P1(=O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
The InChIKey is BGHBCITZQLYNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-11(10-16)19(17)15-9-5-3-7-13(15)12-6-2-4-8-14(12)18-19/h2-9,11,16H,10H2,1H3.
What are the key properties of 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol has a molecular weight of 274.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol is sourced from PubChem (CID 20662902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).