6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide

C15H15O3P — CID 154102963

IUPAC6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCCCc1ccc2c(c1)-c1ccccc1P(=O)(O)O2
InChIInChI=1S/C15H15O3P/c1-2-5-11-8-9-14-13(10-11)12-6-3-4-7-15(12)19(16,17)18-14/h3-4,6-10H,2,5H2,1H3,(H,16,17)
InChIKeyZTFPHIFHOCRETI-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.51
Rot. Bonds2

About 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide

6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 154102963) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID154102963
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Name6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCCCc1ccc2c(c1)-c1ccccc1P(=O)(O)O2
InChIInChI=1S/C15H15O3P/c1-2-5-11-8-9-14-13(10-11)12-6-3-4-7-15(12)19(16,17)18-14/h3-4,6-10H,2,5H2,1H3,(H,16,17)
InChIKeyZTFPHIFHOCRETI-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.51
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-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 87388233
potassium;hydride;6-hydroxy-2-phenylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 173353051
4-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 57043062
2-propylanthracene-9,10-dione
CID 22643716
7-butyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 54497400
1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol
CID 23594103
3-hydroxy-6-propyl-2,3-dihydrochromen-4-one
CID 67687821
3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
CID 123726273
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
1-phenyl-4-propylbenzene;2-(4-propylphenyl)benzoate
CID 23324392
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 154102963) is 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide is CCCc1ccc2c(c1)-c1ccccc1P(=O)(O)O2.
What is the InChIKey of 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is ZTFPHIFHOCRETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-2-5-11-8-9-14-13(10-11)12-6-3-4-7-15(12)19(16,17)18-14/h3-4,6-10H,2,5H2,1H3,(H,16,17).
What are the key properties of 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 274.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 154102963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).