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

C17H19O3P — CID 14686892

IUPAC2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
SMILESCC(C)(C)C(O)P1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C17H19O3P/c1-17(2,3)16(18)21(19)15-11-7-5-9-13(15)12-8-4-6-10-14(12)20-21/h4-11,16,18H,1-3H3
InChIKeyITXUFRFQCRKBOL-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.01
Rot. Bonds1

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

2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol (PubChem CID 14686892) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
PubChem CID14686892
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
SMILESCC(C)(C)C(O)P1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C17H19O3P/c1-17(2,3)16(18)21(19)15-11-7-5-9-13(15)12-8-4-6-10-14(12)20-21/h4-11,16,18H,1-3H3
InChIKeyITXUFRFQCRKBOL-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.01
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

furan-2-yl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 14686894
2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 20662902
6-butan-2-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 71018079
[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
ethane;2-[1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 159602454
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122684857
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-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 14686914
6-(3,3-dimethylbutyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 58986432
1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol
CID 23594103
3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
CID 20662894

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol (CID 14686892) is 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol is CC(C)(C)C(O)P1(=O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
The InChIKey is ITXUFRFQCRKBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-17(2,3)16(18)21(19)15-11-7-5-9-13(15)12-8-4-6-10-14(12)20-21/h4-11,16,18H,1-3H3.
What are the key properties of 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol?
2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol has a molecular weight of 302.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol is sourced from PubChem (CID 14686892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).