6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine

C26H27O3P — CID 139991504

IUPAC6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine
SMILESCc1c(C)c2c(c(C)c1OP1Oc3ccccc3-c3ccccc31)CCC(C)(C)O2
InChIInChI=1S/C26H27O3P/c1-16-17(2)25-19(14-15-26(4,5)27-25)18(3)24(16)29-30-23-13-9-7-11-21(23)20-10-6-8-12-22(20)28-30/h6-13H,14-15H2,1-5H3
InChIKeySQNQNTKLUQUJGF-UHFFFAOYSA-N
MW418.47 g/mol
LogP6.79
Rot. Bonds2

About 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine

6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine (PubChem CID 139991504) has the molecular formula C26H27O3P and a molecular weight of 418.47 g/mol. Its IUPAC name is 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine.

Molecular Properties

Compound Name6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine
PubChem CID139991504
Molecular FormulaC26H27O3P
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine
SMILESCc1c(C)c2c(c(C)c1OP1Oc3ccccc3-c3ccccc31)CCC(C)(C)O2
InChIInChI=1S/C26H27O3P/c1-16-17(2)25-19(14-15-26(4,5)27-25)18(3)24(16)29-30-23-13-9-7-11-21(23)20-10-6-8-12-22(20)28-30/h6-13H,14-15H2,1-5H3
InChIKeySQNQNTKLUQUJGF-UHFFFAOYSA-N
XLogP6.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine?
The IUPAC name of 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine (CID 139991504) is 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine.
What is the SMILES notation for 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine?
The canonical SMILES for 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine is Cc1c(C)c2c(c(C)c1OP1Oc3ccccc3-c3ccccc31)CCC(C)(C)O2.
What is the InChIKey of 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine?
The InChIKey is SQNQNTKLUQUJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27O3P/c1-16-17(2)25-19(14-15-26(4,5)27-25)18(3)24(16)29-30-23-13-9-7-11-21(23)20-10-6-8-12-22(20)28-30/h6-13H,14-15H2,1-5H3.
What are the key properties of 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine?
6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine has a molecular weight of 418.47 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine is sourced from PubChem (CID 139991504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).