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

C16H17O3P — CID 57043062

IUPAC4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCCCCc1cccc2c1OP(=O)(O)c1ccccc1-2
InChIInChI=1S/C16H17O3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)20(17,18)19-16(12)14/h4-6,8-11H,2-3,7H2,1H3,(H,17,18)
InChIKeyFPZMTNJUFKXANO-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.90
Rot. Bonds3

About 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide

4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 57043062) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID57043062
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCCCCc1cccc2c1OP(=O)(O)c1ccccc1-2
InChIInChI=1S/C16H17O3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)20(17,18)19-16(12)14/h4-6,8-11H,2-3,7H2,1H3,(H,17,18)
InChIKeyFPZMTNJUFKXANO-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.90
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

7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 54497400
CID 159940559
CID 159940559
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CID 14598470
5-octylbenzo[b]phosphindole 5-oxide
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[2-(2-butylphenyl)phenyl] acetate
CID 68813742
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
3,4-dibutyl-1-ethoxy-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537009
1-butyl-2-chloro-3-ethylbenzene
CID 139904751
1,2-didecylbenzene;phosphonous acid
CID 70526437
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
2-(2-pentylphenyl)phenol
CID 66866892

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 57043062) is 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is CCCCc1cccc2c1OP(=O)(O)c1ccccc1-2.
What is the InChIKey of 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is FPZMTNJUFKXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)20(17,18)19-16(12)14/h4-6,8-11H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 288.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 57043062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).