ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane

C26H39O2P — CID 153323041

IUPACditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
SMILESCC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H39O2P/c1-18(2)27-21-15-13-16-22(28-19(3)4)24(21)20-14-11-12-17-23(20)29(25(5,6)7)26(8,9)10/h11-19H,1-10H3
InChIKeyBKRNYRUHEJMAMI-UHFFFAOYSA-N
MW414.57 g/mol
LogP7.63
Rot. Bonds6

About ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane

ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane (PubChem CID 153323041) has the molecular formula C26H39O2P and a molecular weight of 414.57 g/mol. Its IUPAC name is ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
PubChem CID153323041
Molecular FormulaC26H39O2P
Molecular Weight414.57 g/mol
Exact Mass414.27
IUPAC Nameditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
SMILESCC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H39O2P/c1-18(2)27-21-15-13-16-22(28-19(3)4)24(21)20-14-11-12-17-23(20)29(25(5,6)7)26(8,9)10/h11-19H,1-10H3
InChIKeyBKRNYRUHEJMAMI-UHFFFAOYSA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 57.63
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

ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane
CID 142281030
ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
CID 11348396
[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 170566802
dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane
CID 70881184
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene
CID 158459712
ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane
CID 121483097
ditert-butyl-[2-[3-chloro-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 90233856
4-propan-2-yloxyisoindole-1,3-dione
CID 22997019
cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
CID 175023032
1-propan-2-yloxy-10H-anthracen-9-one
CID 22730975
2-[2-[1-[cyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanyl]cyclohexyl]phenyl]aniline
CID 175922901
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;palladium;prop-2-enylbenzene;chloride
CID 172894343

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
The IUPAC name of ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane (CID 153323041) is ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane is CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
The InChIKey is BKRNYRUHEJMAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39O2P/c1-18(2)27-21-15-13-16-22(28-19(3)4)24(21)20-14-11-12-17-23(20)29(25(5,6)7)26(8,9)10/h11-19H,1-10H3.
What are the key properties of ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane has a molecular weight of 414.57 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane is sourced from PubChem (CID 153323041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).