2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde

C20H25O2P — CID 88968935

IUPAC2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde
SMILESCCC(CC)(Pc1ccc(C)cc1C=O)c1ccccc1OC
InChIInChI=1S/C20H25O2P/c1-5-20(6-2,17-9-7-8-10-18(17)22-4)23-19-12-11-15(3)13-16(19)14-21/h7-14,23H,5-6H2,1-4H3
InChIKeyMYGRYFJBMIDIBU-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.84
Rot. Bonds7

About 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde

2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde (PubChem CID 88968935) has the molecular formula C20H25O2P and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde
PubChem CID88968935
Molecular FormulaC20H25O2P
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde
SMILESCCC(CC)(Pc1ccc(C)cc1C=O)c1ccccc1OC
InChIInChI=1S/C20H25O2P/c1-5-20(6-2,17-9-7-8-10-18(17)22-4)23-19-12-11-15(3)13-16(19)14-21/h7-14,23H,5-6H2,1-4H3
InChIKeyMYGRYFJBMIDIBU-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.84
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-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde?
The IUPAC name of 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde (CID 88968935) is 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde?
The canonical SMILES for 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde is CCC(CC)(Pc1ccc(C)cc1C=O)c1ccccc1OC.
What is the InChIKey of 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde?
The InChIKey is MYGRYFJBMIDIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O2P/c1-5-20(6-2,17-9-7-8-10-18(17)22-4)23-19-12-11-15(3)13-16(19)14-21/h7-14,23H,5-6H2,1-4H3.
What are the key properties of 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde?
2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde has a molecular weight of 328.39 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde is sourced from PubChem (CID 88968935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).