8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide

C16H17O3P — CID 19595737

IUPAC8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCCC(C)c1ccc2c(c1)P(=O)(O)Oc1ccccc1-2
InChIInChI=1S/C16H17O3P/c1-3-11(2)12-8-9-14-13-6-4-5-7-15(13)19-20(17,18)16(14)10-12/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyGNOJKUZQIHDZAT-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.07
Rot. Bonds2

About 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide

8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 19595737) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID19595737
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCCC(C)c1ccc2c(c1)P(=O)(O)Oc1ccccc1-2
InChIInChI=1S/C16H17O3P/c1-3-11(2)12-8-9-14-13-6-4-5-7-15(13)19-20(17,18)16(14)10-12/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyGNOJKUZQIHDZAT-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 19595737) is 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is CCC(C)c1ccc2c(c1)P(=O)(O)Oc1ccccc1-2.
What is the InChIKey of 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is GNOJKUZQIHDZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-3-11(2)12-8-9-14-13-6-4-5-7-15(13)19-20(17,18)16(14)10-12/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 288.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 19595737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).