3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane

C26H38FO2P — CID 89214520

IUPAC3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane
SMILESCCCCC(CC)(Pc1ccccc1F)c1cc(C(C)(C)C)cc(C)c1OCOC
InChIInChI=1S/C26H38FO2P/c1-8-10-15-26(9-2,30-23-14-12-11-13-22(23)27)21-17-20(25(4,5)6)16-19(3)24(21)29-18-28-7/h11-14,16-17,30H,8-10,15,18H2,1-7H3
InChIKeyFYFWACSVFUDNAN-UHFFFAOYSA-N
MW432.56 g/mol
LogP7.21
Rot. Bonds10

About 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane

3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane (PubChem CID 89214520) has the molecular formula C26H38FO2P and a molecular weight of 432.56 g/mol. Its IUPAC name is 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane.

Molecular Properties

Compound Name3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane
PubChem CID89214520
Molecular FormulaC26H38FO2P
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC Name3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane
SMILESCCCCC(CC)(Pc1ccccc1F)c1cc(C(C)(C)C)cc(C)c1OCOC
InChIInChI=1S/C26H38FO2P/c1-8-10-15-26(9-2,30-23-14-12-11-13-22(23)27)21-17-20(25(4,5)6)16-19(3)24(21)29-18-28-7/h11-14,16-17,30H,8-10,15,18H2,1-7H3
InChIKeyFYFWACSVFUDNAN-UHFFFAOYSA-N
XLogP7.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]octan-3-ylphosphanyl]-N,N-dimethylaniline
CID 89356663
3-[3,5-dibenzyl-2-(methoxymethoxy)phenyl]octan-3-yl-(2-fluorophenyl)phosphane
CID 89214214
2-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]octan-3-ylphosphanyl]benzaldehyde
CID 89356589
2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
CID 88987874
1-[2-[3-(5-tert-butyl-2-methoxy-3-methylphenyl)octan-3-ylphosphanyl]phenyl]ethanone
CID 71191817
3-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)heptan-3-yl-methylphosphane
CID 71040219
1-[2-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]octan-3-ylphosphanyl]-5-methylphenyl]ethanone
CID 89356463
[2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356670
1-[2-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]octan-3-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 89356456
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methyl-N,N-di(propan-2-yl)aniline
CID 89356666
2-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]hexan-2-ylphosphanyl]-N,N-dimethylaniline
CID 89214527
1-[2-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 89214597

Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane?
The IUPAC name of 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane (CID 89214520) is 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane.
What is the SMILES notation for 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane?
The canonical SMILES for 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane is CCCCC(CC)(Pc1ccccc1F)c1cc(C(C)(C)C)cc(C)c1OCOC.
What is the InChIKey of 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane?
The InChIKey is FYFWACSVFUDNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FO2P/c1-8-10-15-26(9-2,30-23-14-12-11-13-22(23)27)21-17-20(25(4,5)6)16-19(3)24(21)29-18-28-7/h11-14,16-17,30H,8-10,15,18H2,1-7H3.
What are the key properties of 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane?
3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane has a molecular weight of 432.56 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane is sourced from PubChem (CID 89214520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).