2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole

C24H33O3P — CID 14693977

IUPAC2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole
SMILESCC(C)C(C)(C)c1cccc(C(C)(C)C(C)C)c1OP1Oc2ccccc2O1
InChIInChI=1S/C24H33O3P/c1-16(2)23(5,6)18-12-11-13-19(24(7,8)17(3)4)22(18)27-28-25-20-14-9-10-15-21(20)26-28/h9-17H,1-8H3
InChIKeyPWCHRLDAAGZIHL-UHFFFAOYSA-N
MW400.50 g/mol
LogP7.63
Rot. Bonds6

About 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole

2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole (PubChem CID 14693977) has the molecular formula C24H33O3P and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole.

Molecular Properties

Compound Name2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole
PubChem CID14693977
Molecular FormulaC24H33O3P
Molecular Weight400.50 g/mol
Exact Mass400.22
IUPAC Name2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole
SMILESCC(C)C(C)(C)c1cccc(C(C)(C)C(C)C)c1OP1Oc2ccccc2O1
InChIInChI=1S/C24H33O3P/c1-16(2)23(5,6)18-12-11-13-19(24(7,8)17(3)4)22(18)27-28-25-20-14-9-10-15-21(20)26-28/h9-17H,1-8H3
InChIKeyPWCHRLDAAGZIHL-UHFFFAOYSA-N
XLogP7.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,6-tritert-butylphenoxy)-1,3,2-benzodioxaphosphole
CID 14945673
1-(2,3-dimethylbutan-2-yl)-2-methylbenzene
CID 14195588
copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride
CID 173453558
2-(2,4,6-tritert-butylphenoxy)-3H-1,2-benzoxaphosphole
CID 56627500
tert-butyl (3R)-3-[benzyl(propan-2-yl)amino]-3-naphthalen-1-ylpropanoate
CID 134918783
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1R)-1-phenylethyl]butanoic acid
CID 67209959
4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 67209446
tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
CID 102492141
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
tert-butyl 1,3-benzodioxole-2-carboxylate
CID 175730772
2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-5-methyl-3-pentan-2-ylphenyl]-4-methyl-6-pentan-2-ylphenoxy]-1,3,2-benzodioxaphosphinin-4-one
CID 71049763

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole?
The IUPAC name of 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole (CID 14693977) is 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole.
What is the SMILES notation for 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole?
The canonical SMILES for 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole is CC(C)C(C)(C)c1cccc(C(C)(C)C(C)C)c1OP1Oc2ccccc2O1.
What is the InChIKey of 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole?
The InChIKey is PWCHRLDAAGZIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O3P/c1-16(2)23(5,6)18-12-11-13-19(24(7,8)17(3)4)22(18)27-28-25-20-14-9-10-15-21(20)26-28/h9-17H,1-8H3.
What are the key properties of 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole?
2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole has a molecular weight of 400.50 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole is sourced from PubChem (CID 14693977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).