[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane

C25H37O2P — CID 127262764

IUPAC[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
SMILESCOc1ccc(OC)c(P(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C25H37O2P/c1-15(2)18-13-19(16(3)4)23(20(14-18)17(5)6)24-21(26-7)11-12-22(27-8)25(24)28(9)10/h11-17H,1-10H3
InChIKeyDLUYIYUGGDGPDG-UHFFFAOYSA-N
MW400.54 g/mol
LogP7.11
Rot. Bonds7

About [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane

[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane (PubChem CID 127262764) has the molecular formula C25H37O2P and a molecular weight of 400.54 g/mol. Its IUPAC name is [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane.

Molecular Properties

Compound Name[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
PubChem CID127262764
Molecular FormulaC25H37O2P
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC Name[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
SMILESCOc1ccc(OC)c(P(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C25H37O2P/c1-15(2)18-13-19(16(3)4)23(20(14-18)17(5)6)24-21(26-7)11-12-22(27-8)25(24)28(9)10/h11-17H,1-10H3
InChIKeyDLUYIYUGGDGPDG-UHFFFAOYSA-N
XLogP7.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 57.11
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

[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
CID 127262770
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
CID 102481833
tritert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium
CID 129084965
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
CID 135193691
acetonitrile;bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;gold;hexafluoroantimony(1-)
CID 117065352
butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 90042340
[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
CID 75412135
diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 118584328
bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;bromopalladium(1+);1-(2H-thiophen-2-id-5-yl)ethanone
CID 146014654
CID 176507743
CID 176507743
ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 121483098

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane?
The IUPAC name of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane (CID 127262764) is [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane.
What is the SMILES notation for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane?
The canonical SMILES for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane is COc1ccc(OC)c(P(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane?
The InChIKey is DLUYIYUGGDGPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37O2P/c1-15(2)18-13-19(16(3)4)23(20(14-18)17(5)6)24-21(26-7)11-12-22(27-8)25(24)28(9)10/h11-17H,1-10H3.
What are the key properties of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane?
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane has a molecular weight of 400.54 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane is sourced from PubChem (CID 127262764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).