bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane

C22H39OP — CID 139972852

IUPACbis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane
SMILESCCC(C)(C)P(CCc1ccc(OC(C)(C)C)cc1)C(C)(C)CC
InChIInChI=1S/C22H39OP/c1-10-21(6,7)24(22(8,9)11-2)17-16-18-12-14-19(15-13-18)23-20(3,4)5/h12-15H,10-11,16-17H2,1-9H3
InChIKeyWEUWRWIKWDARTG-UHFFFAOYSA-N
MW350.53 g/mol
LogP7.27
Rot. Bonds8

About bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane

bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane (PubChem CID 139972852) has the molecular formula C22H39OP and a molecular weight of 350.53 g/mol. Its IUPAC name is bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane.

Molecular Properties

Compound Namebis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane
PubChem CID139972852
Molecular FormulaC22H39OP
Molecular Weight350.53 g/mol
Exact Mass350.27
IUPAC Namebis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane
SMILESCCC(C)(C)P(CCc1ccc(OC(C)(C)C)cc1)C(C)(C)CC
InChIInChI=1S/C22H39OP/c1-10-21(6,7)24(22(8,9)11-2)17-16-18-12-14-19(15-13-18)23-20(3,4)5/h12-15H,10-11,16-17H2,1-9H3
InChIKeyWEUWRWIKWDARTG-UHFFFAOYSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
CID 98014897
2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
CID 98017575
bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane
CID 139972833
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 15136722
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane?
The IUPAC name of bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane (CID 139972852) is bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane.
What is the SMILES notation for bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane?
The canonical SMILES for bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane is CCC(C)(C)P(CCc1ccc(OC(C)(C)C)cc1)C(C)(C)CC.
What is the InChIKey of bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane?
The InChIKey is WEUWRWIKWDARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39OP/c1-10-21(6,7)24(22(8,9)11-2)17-16-18-12-14-19(15-13-18)23-20(3,4)5/h12-15H,10-11,16-17H2,1-9H3.
What are the key properties of bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane?
bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane has a molecular weight of 350.53 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane is sourced from PubChem (CID 139972852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).