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

C16H17O3P — CID 54497400

IUPAC7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCCCCc1cccc2c1P(=O)(O)Oc1ccccc1-2
InChIInChI=1S/C16H17O3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)19-20(17,18)16(12)14/h4-6,8-11H,2-3,7H2,1H3,(H,17,18)
InChIKeyYABXCOMZTUHYKH-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.90
Rot. Bonds3

About 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide

7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 54497400) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID54497400
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCCCCc1cccc2c1P(=O)(O)Oc1ccccc1-2
InChIInChI=1S/C16H17O3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)19-20(17,18)16(12)14/h4-6,8-11H,2-3,7H2,1H3,(H,17,18)
InChIKeyYABXCOMZTUHYKH-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

4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 57043062
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636
6,7-didecoxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 176906513
CID 159940559
CID 159940559
1,2-didecylbenzene;phosphonous acid
CID 70526437
8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 19595737
2-(aminomethyl)-6-butylphenol
CID 142528852
1-butylfluoren-9-one
CID 14598470
3-butyl-2-hydroxybenzoic acid
CID 18681512
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
2-methyl-6-undecylphenol
CID 174998801
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158

Frequently Asked Questions

What is the IUPAC name of 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 54497400) is 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide is CCCCc1cccc2c1P(=O)(O)Oc1ccccc1-2.
What is the InChIKey of 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is YABXCOMZTUHYKH-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)19-20(17,18)16(12)14/h4-6,8-11H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
7-butyl-6-hydroxybenzo[c][2,1]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 7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 54497400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).