6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine

C23H23O4P — CID 11069264

IUPAC6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1ccc(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1
InChIInChI=1S/C23H23O4P/c1-23(2,3)19-15-16(24-4)13-14-22(19)27-28-25-20-11-7-5-9-17(20)18-10-6-8-12-21(18)26-28/h5-15H,1-4H3
InChIKeyUELFJRQURQXLAK-UHFFFAOYSA-N
MW394.41 g/mol
LogP7.44
Rot. Bonds3

About 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine

6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 11069264) has the molecular formula C23H23O4P and a molecular weight of 394.41 g/mol. Its IUPAC name is 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
PubChem CID11069264
Molecular FormulaC23H23O4P
Molecular Weight394.41 g/mol
Exact Mass394.13
IUPAC Name6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1ccc(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1
InChIInChI=1S/C23H23O4P/c1-23(2,3)19-15-16(24-4)13-14-22(19)27-28-25-20-11-7-5-9-17(20)18-10-6-8-12-21(18)26-28/h5-15H,1-4H3
InChIKeyUELFJRQURQXLAK-UHFFFAOYSA-N
XLogP7.44
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-tert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
CID 14637270
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158305230
4,8-ditert-butyl-6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine-2,10-diol
CID 22973484
6-[2-(2-benzo[c][2,1]benzoxaphosphinin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 22965360
6-[2-(6-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5,5-ditert-butyl-3-methoxycyclohexa-1,3-dien-1-yl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 163529141
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 89135130
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-butan-2-yl-3-tert-butylphenyl)-4-butan-2-yl-6-tert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 58444055
4,8-ditert-butyl-6-(2-ethoxyphenoxy)-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 67613320
6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158188032
tert-butyl 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methylbenzoate
CID 142046060
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine (CID 11069264) is 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine is COc1ccc(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1.
What is the InChIKey of 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is UELFJRQURQXLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O4P/c1-23(2,3)19-15-16(24-4)13-14-22(19)27-28-25-20-11-7-5-9-17(20)18-10-6-8-12-21(18)26-28/h5-15H,1-4H3.
What are the key properties of 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine?
6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 394.41 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 11069264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).