6-decoxybenzo[c][2,1]benzoxaphosphinine

C22H29O2P — CID 22022713

IUPAC6-decoxybenzo[c][2,1]benzoxaphosphinine
SMILESCCCCCCCCCCOP1Oc2ccccc2-c2ccccc21
InChIInChI=1S/C22H29O2P/c1-2-3-4-5-6-7-8-13-18-23-25-22-17-12-10-15-20(22)19-14-9-11-16-21(19)24-25/h9-12,14-17H,2-8,13,18H2,1H3
InChIKeyWEFMTVNJCFTOFQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP6.84
Rot. Bonds10

About 6-decoxybenzo[c][2,1]benzoxaphosphinine

6-decoxybenzo[c][2,1]benzoxaphosphinine (PubChem CID 22022713) has the molecular formula C22H29O2P and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-decoxybenzo[c][2,1]benzoxaphosphinine.

Molecular Properties

Compound Name6-decoxybenzo[c][2,1]benzoxaphosphinine
PubChem CID22022713
Molecular FormulaC22H29O2P
Molecular Weight356.45 g/mol
Exact Mass356.19
IUPAC Name6-decoxybenzo[c][2,1]benzoxaphosphinine
SMILESCCCCCCCCCCOP1Oc2ccccc2-c2ccccc21
InChIInChI=1S/C22H29O2P/c1-2-3-4-5-6-7-8-13-18-23-25-22-17-12-10-15-20(22)19-14-9-11-16-21(19)24-25/h9-12,14-17H,2-8,13,18H2,1H3
InChIKeyWEFMTVNJCFTOFQ-UHFFFAOYSA-N
XLogP6.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-decoxybenzo[c][2,1]benzoxaphosphinine?
The IUPAC name of 6-decoxybenzo[c][2,1]benzoxaphosphinine (CID 22022713) is 6-decoxybenzo[c][2,1]benzoxaphosphinine.
What is the SMILES notation for 6-decoxybenzo[c][2,1]benzoxaphosphinine?
The canonical SMILES for 6-decoxybenzo[c][2,1]benzoxaphosphinine is CCCCCCCCCCOP1Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-decoxybenzo[c][2,1]benzoxaphosphinine?
The InChIKey is WEFMTVNJCFTOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O2P/c1-2-3-4-5-6-7-8-13-18-23-25-22-17-12-10-15-20(22)19-14-9-11-16-21(19)24-25/h9-12,14-17H,2-8,13,18H2,1H3.
What are the key properties of 6-decoxybenzo[c][2,1]benzoxaphosphinine?
6-decoxybenzo[c][2,1]benzoxaphosphinine has a molecular weight of 356.45 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decoxybenzo[c][2,1]benzoxaphosphinine is sourced from PubChem (CID 22022713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).