9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide

C16H17O3P — CID 139761105

IUPAC9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1OP2(=O)O
InChIInChI=1S/C16H17O3P/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)19-20(15,17)18/h4-10H,1-3H3,(H,17,18)
InChIKeyOHIHVSHRTXXWFB-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.85
Rot. Bonds

About 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide

9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 139761105) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID139761105
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1OP2(=O)O
InChIInChI=1S/C16H17O3P/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)19-20(15,17)18/h4-10H,1-3H3,(H,17,18)
InChIKeyOHIHVSHRTXXWFB-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.85
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

6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
CID 139761145
6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 139761151
6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 87388233
6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
CID 19595811
8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 19595737
6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 154102963
7-tert-butyl-9-cyclohexyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 139761159
potassium;hydride;6-hydroxy-2-phenylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 173353051
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
2,10-ditert-butyltetraphenylene
CID 159208403
2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 14686892
4-[1-(4-methoxyphenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 146390169

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 139761105) is 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is CC(C)(C)c1ccc2c(c1)-c1ccccc1OP2(=O)O.
What is the InChIKey of 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is OHIHVSHRTXXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)19-20(15,17)18/h4-10H,1-3H3,(H,17,18).
What are the key properties of 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 288.28 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 139761105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).