6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide

C20H25O3P — CID 87388233

IUPAC6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)-c1ccccc1P(=O)(O)O2
InChIInChI=1S/C20H25O3P/c1-19(2,3)13-20(4,5)14-10-11-17-16(12-14)15-8-6-7-9-18(15)24(21,22)23-17/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyLCHCKCRGYZPPRG-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.27
Rot. Bonds2

About 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide

6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 87388233) has the molecular formula C20H25O3P and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID87388233
Molecular FormulaC20H25O3P
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)-c1ccccc1P(=O)(O)O2
InChIInChI=1S/C20H25O3P/c1-19(2,3)13-20(4,5)14-10-11-17-16(12-14)15-8-6-7-9-18(15)24(21,22)23-17/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyLCHCKCRGYZPPRG-UHFFFAOYSA-N
XLogP5.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bisphenol C
CID 6620
Trixylenyl phosphate
CID 19736
Tris(p-t-butylphenyl) phosphate
CID 6530
p-tert-Butylphenyl diphenyl phosphate
CID 70425
Phenol, 4,4'-cyclohexylidenebis[2-methyl-
CID 75386
Bis(isopropylphenyl) phenyl phosphate
CID 34149
Tris(2,4-di-tert-butylphenyl) phosphite
CID 91601
Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite
CID 93101
Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-
CID 74457
Tris(2,6-xylenyl)phosphate
CID 8460
Isopropylphenyl diphenyl phosphate
CID 34148
Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester
CID 158333

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 87388233) is 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide is CC(C)(C)CC(C)(C)c1ccc2c(c1)-c1ccccc1P(=O)(O)O2.
What is the InChIKey of 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is LCHCKCRGYZPPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O3P/c1-19(2,3)13-20(4,5)14-10-11-17-16(12-14)15-8-6-7-9-18(15)24(21,22)23-17/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 344.39 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 87388233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).