diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C28H43O5P — CID 118584328

IUPACdiethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCCOP(OCC)c1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(OC)c(OC)c1OC
InChIInChI=1S/C28H43O5P/c1-12-32-34(33-13-2)28-23(16-24(29-9)26(30-10)27(28)31-11)25-21(18(5)6)14-20(17(3)4)15-22(25)19(7)8/h14-19H,12-13H2,1-11H3
InChIKeyDTHKAEDWGUKOIQ-UHFFFAOYSA-N
MW490.62 g/mol
LogP7.76
Rot. Bonds12

About diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 118584328) has the molecular formula C28H43O5P and a molecular weight of 490.62 g/mol. Its IUPAC name is diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namediethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID118584328
Molecular FormulaC28H43O5P
Molecular Weight490.62 g/mol
Exact Mass490.28
IUPAC Namediethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCCOP(OCC)c1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(OC)c(OC)c1OC
InChIInChI=1S/C28H43O5P/c1-12-32-34(33-13-2)28-23(16-24(29-9)26(30-10)27(28)31-11)25-21(18(5)6)14-20(17(3)4)15-22(25)19(7)8/h14-19H,12-13H2,1-11H3
InChIKeyDTHKAEDWGUKOIQ-UHFFFAOYSA-N
XLogP7.76
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-dimethylphosphane
CID 127262764
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 122217633
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
CID 102481833
[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
CID 135193691
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
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 118584328) is diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is CCOP(OCC)c1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(OC)c(OC)c1OC.
What is the InChIKey of diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is DTHKAEDWGUKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43O5P/c1-12-32-34(33-13-2)28-23(16-24(29-9)26(30-10)27(28)31-11)25-21(18(5)6)14-20(17(3)4)15-22(25)19(7)8/h14-19H,12-13H2,1-11H3.
What are the key properties of diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 490.62 g/mol, XLogP of 7.76, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 118584328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).