6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

C16H16ClO2P — CID 20820441

IUPAC6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c2op(Cl)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C16H16ClO2P/c1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16(14)19-20(17)18-15/h5-8H,1-4H3
InChIKeyQSHWODLSXAFUJY-UHFFFAOYSA-N
MW306.73 g/mol
LogP6.53
Rot. Bonds

About 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 20820441) has the molecular formula C16H16ClO2P and a molecular weight of 306.73 g/mol. Its IUPAC name is 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID20820441
Molecular FormulaC16H16ClO2P
Molecular Weight306.73 g/mol
Exact Mass306.06
IUPAC Name6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c2op(Cl)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C16H16ClO2P/c1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16(14)19-20(17)18-15/h5-8H,1-4H3
InChIKeyQSHWODLSXAFUJY-UHFFFAOYSA-N
XLogP6.53
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.73
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 20820441) is 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C)c2op(Cl)oc3c(C)cc(C)cc3c2c1.
What is the InChIKey of 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is QSHWODLSXAFUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClO2P/c1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16(14)19-20(17)18-15/h5-8H,1-4H3.
What are the key properties of 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 306.73 g/mol, XLogP of 6.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 20820441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).