2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde

C21H27O4P — CID 88969314

IUPAC2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde
SMILESCCC(C)(Pc1c(C)cccc1C=O)c1cccc(OC)c1OCOC
InChIInChI=1S/C21H27O4P/c1-6-21(3,26-20-15(2)9-7-10-16(20)13-22)17-11-8-12-18(24-5)19(17)25-14-23-4/h7-13,26H,6,14H2,1-5H3
InChIKeyASJSGSASMASIDZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.43
Rot. Bonds9

About 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde

2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde (PubChem CID 88969314) has the molecular formula C21H27O4P and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde
PubChem CID88969314
Molecular FormulaC21H27O4P
Molecular Weight374.42 g/mol
Exact Mass374.16
IUPAC Name2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde
SMILESCCC(C)(Pc1c(C)cccc1C=O)c1cccc(OC)c1OCOC
InChIInChI=1S/C21H27O4P/c1-6-21(3,26-20-15(2)9-7-10-16(20)13-22)17-11-8-12-18(24-5)19(17)25-14-23-4/h7-13,26H,6,14H2,1-5H3
InChIKeyASJSGSASMASIDZ-UHFFFAOYSA-N
XLogP4.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane
CID 88969094
2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline
CID 89356665
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89356601
2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20990983
[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
CID 88969379
2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 89214616
[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
CID 88969386
1-[2-[2-[3-benzyl-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 89214594
N-[[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89214658
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
CID 89214388

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde?
The IUPAC name of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde (CID 88969314) is 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde.
What is the SMILES notation for 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde?
The canonical SMILES for 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde is CCC(C)(Pc1c(C)cccc1C=O)c1cccc(OC)c1OCOC.
What is the InChIKey of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde?
The InChIKey is ASJSGSASMASIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O4P/c1-6-21(3,26-20-15(2)9-7-10-16(20)13-22)17-11-8-12-18(24-5)19(17)25-14-23-4/h7-13,26H,6,14H2,1-5H3.
What are the key properties of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde?
2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde has a molecular weight of 374.42 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde is sourced from PubChem (CID 88969314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).