ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane

C22H33O2P — CID 143834388

IUPACethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCC.CCP(c1cc(C)c(OC)c(C)c1)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C20H27O2P.C2H6/c1-8-23(17-9-13(2)19(21-6)14(3)10-17)18-11-15(4)20(22-7)16(5)12-18;1-2/h9-12H,8H2,1-7H3;1-2H3
InChIKeyMMFBTLSWTHSLFR-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.42
Rot. Bonds5

About ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane

ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 143834388) has the molecular formula C22H33O2P and a molecular weight of 360.48 g/mol. Its IUPAC name is ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Nameethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
PubChem CID143834388
Molecular FormulaC22H33O2P
Molecular Weight360.48 g/mol
Exact Mass360.22
IUPAC Nameethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCC.CCP(c1cc(C)c(OC)c(C)c1)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C20H27O2P.C2H6/c1-8-23(17-9-13(2)19(21-6)14(3)10-17)18-11-15(4)20(22-7)16(5)12-18;1-2/h9-12H,8H2,1-7H3;1-2H3
InChIKeyMMFBTLSWTHSLFR-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane (CID 143834388) is ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane is CC.CCP(c1cc(C)c(OC)c(C)c1)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is MMFBTLSWTHSLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O2P.C2H6/c1-8-23(17-9-13(2)19(21-6)14(3)10-17)18-11-15(4)20(22-7)16(5)12-18;1-2/h9-12H,8H2,1-7H3;1-2H3.
What are the key properties of ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 360.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 143834388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).