[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane

C26H31O2P — CID 13087581

IUPAC[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane
SMILESCC(C)(C)Oc1cccc(P(c2ccccc2)c2ccccc2)c1OC(C)(C)C
InChIInChI=1S/C26H31O2P/c1-25(2,3)27-22-18-13-19-23(24(22)28-26(4,5)6)29(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-19H,1-6H3
InChIKeyIZTMISGYKBEAGR-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.80
Rot. Bonds5

About [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane

[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane (PubChem CID 13087581) has the molecular formula C26H31O2P and a molecular weight of 406.51 g/mol. Its IUPAC name is [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane
PubChem CID13087581
Molecular FormulaC26H31O2P
Molecular Weight406.51 g/mol
Exact Mass406.21
IUPAC Name[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane
SMILESCC(C)(C)Oc1cccc(P(c2ccccc2)c2ccccc2)c1OC(C)(C)C
InChIInChI=1S/C26H31O2P/c1-25(2,3)27-22-18-13-19-23(24(22)28-26(4,5)6)29(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-19H,1-6H3
InChIKeyIZTMISGYKBEAGR-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis[(2-methylpropan-2-yl)oxy]phenol
CID 22734690
(2,3-dipropoxyphenyl)-diphenylphosphane
CID 13087576
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2,2-dimethylpropane;triphenylphosphane
CID 143924519
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
1,2-bis[(2-methylpropan-2-yl)oxy]naphthalene
CID 18761970
[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;rhodium;perchlorate
CID 135084630
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
CID 23643523

Frequently Asked Questions

What is the IUPAC name of [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane?
The IUPAC name of [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane (CID 13087581) is [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane.
What is the SMILES notation for [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane?
The canonical SMILES for [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane is CC(C)(C)Oc1cccc(P(c2ccccc2)c2ccccc2)c1OC(C)(C)C.
What is the InChIKey of [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane?
The InChIKey is IZTMISGYKBEAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31O2P/c1-25(2,3)27-22-18-13-19-23(24(22)28-26(4,5)6)29(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-19H,1-6H3.
What are the key properties of [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane?
[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane has a molecular weight of 406.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane is sourced from PubChem (CID 13087581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).