2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane

C24H27O2P — CID 167444020

IUPAC2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane
SMILESCC(C)c1ccc(C=O)c(P(c2ccccc2)c2ccccc2)c1.COC
InChIInChI=1S/C22H21OP.C2H6O/c1-17(2)18-13-14-19(16-23)22(15-18)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-3-2/h3-17H,1-2H3;1-2H3
InChIKeyMINPBZAYJMUURM-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.64
Rot. Bonds5

About 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane

2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane (PubChem CID 167444020) has the molecular formula C24H27O2P and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane.

Molecular Properties

Compound Name2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane
PubChem CID167444020
Molecular FormulaC24H27O2P
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane
SMILESCC(C)c1ccc(C=O)c(P(c2ccccc2)c2ccccc2)c1.COC
InChIInChI=1S/C22H21OP.C2H6O/c1-17(2)18-13-14-19(16-23)22(15-18)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-3-2/h3-17H,1-2H3;1-2H3
InChIKeyMINPBZAYJMUURM-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane?
The IUPAC name of 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane (CID 167444020) is 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane.
What is the SMILES notation for 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane?
The canonical SMILES for 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane is CC(C)c1ccc(C=O)c(P(c2ccccc2)c2ccccc2)c1.COC.
What is the InChIKey of 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane?
The InChIKey is MINPBZAYJMUURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21OP.C2H6O/c1-17(2)18-13-14-19(16-23)22(15-18)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-3-2/h3-17H,1-2H3;1-2H3.
What are the key properties of 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane?
2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane has a molecular weight of 378.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane is sourced from PubChem (CID 167444020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).