1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane

C22H33O3P — CID 168985818

IUPAC1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane
SMILESCC.CC(C)Oc1ccc(C(C)(C)c2ccc(OP(C)(C)=O)cc2)cc1
InChIInChI=1S/C20H27O3P.C2H6/c1-15(2)22-18-11-7-16(8-12-18)20(3,4)17-9-13-19(14-10-17)23-24(5,6)21;1-2/h7-15H,1-6H3;1-2H3
InChIKeyOLLZIZKDXWYCNS-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.74
Rot. Bonds6

About 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane

1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane (PubChem CID 168985818) has the molecular formula C22H33O3P and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane.

Molecular Properties

Compound Name1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane
PubChem CID168985818
Molecular FormulaC22H33O3P
Molecular Weight376.48 g/mol
Exact Mass376.22
IUPAC Name1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane
SMILESCC.CC(C)Oc1ccc(C(C)(C)c2ccc(OP(C)(C)=O)cc2)cc1
InChIInChI=1S/C20H27O3P.C2H6/c1-15(2)22-18-11-7-16(8-12-18)20(3,4)17-9-13-19(14-10-17)23-24(5,6)21;1-2/h7-15H,1-6H3;1-2H3
InChIKeyOLLZIZKDXWYCNS-UHFFFAOYSA-N
XLogP6.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane?
The IUPAC name of 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane (CID 168985818) is 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane.
What is the SMILES notation for 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane?
The canonical SMILES for 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane is CC.CC(C)Oc1ccc(C(C)(C)c2ccc(OP(C)(C)=O)cc2)cc1.
What is the InChIKey of 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane?
The InChIKey is OLLZIZKDXWYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O3P.C2H6/c1-15(2)22-18-11-7-16(8-12-18)20(3,4)17-9-13-19(14-10-17)23-24(5,6)21;1-2/h7-15H,1-6H3;1-2H3.
What are the key properties of 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane?
1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane has a molecular weight of 376.48 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane is sourced from PubChem (CID 168985818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).