1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol

C25H37O3P — CID 89214631

IUPAC1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol
SMILESCCC(C)(Pc1ccccc1C(C)O)c1cc(C)cc(C(C)(C)C)c1OCOC
InChIInChI=1S/C25H37O3P/c1-9-25(7,29-22-13-11-10-12-19(22)18(3)26)21-15-17(2)14-20(24(4,5)6)23(21)28-16-27-8/h10-15,18,26,29H,9,16H2,1-8H3
InChIKeyHLVULLIZJAVXBD-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.96
Rot. Bonds8

About 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol

1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol (PubChem CID 89214631) has the molecular formula C25H37O3P and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol
PubChem CID89214631
Molecular FormulaC25H37O3P
Molecular Weight416.54 g/mol
Exact Mass416.25
IUPAC Name1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol
SMILESCCC(C)(Pc1ccccc1C(C)O)c1cc(C)cc(C(C)(C)C)c1OCOC
InChIInChI=1S/C25H37O3P/c1-9-25(7,29-22-13-11-10-12-19(22)18(3)26)21-15-17(2)14-20(24(4,5)6)23(21)28-16-27-8/h10-15,18,26,29H,9,16H2,1-8H3
InChIKeyHLVULLIZJAVXBD-UHFFFAOYSA-N
XLogP5.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]ethanol
CID 71191865
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
CID 70807417
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
CID 89214388
(E)-1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]-N-pyrrol-1-ylmethanimine
CID 88969196
N-[[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89214658
[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
CID 88969379
2-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]hexan-2-ylphosphanyl]-N,N-dimethylaniline
CID 89214527
2-[2-[3-(2,3-dimethylpentan-2-yl)-2-(hydroxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]benzaldehyde
CID 88987768
2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
CID 88987874
2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol
CID 71040018
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 89214352
(E)-1-[2-[3-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]hexan-3-ylphosphanyl]phenyl]-N-pyrrol-1-ylmethanimine
CID 89356720

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol?
The IUPAC name of 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol (CID 89214631) is 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol?
The canonical SMILES for 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol is CCC(C)(Pc1ccccc1C(C)O)c1cc(C)cc(C(C)(C)C)c1OCOC.
What is the InChIKey of 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol?
The InChIKey is HLVULLIZJAVXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37O3P/c1-9-25(7,29-22-13-11-10-12-19(22)18(3)26)21-15-17(2)14-20(24(4,5)6)23(21)28-16-27-8/h10-15,18,26,29H,9,16H2,1-8H3.
What are the key properties of 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol?
1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol has a molecular weight of 416.54 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol is sourced from PubChem (CID 89214631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).