[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol

C26H31O2P — CID 71039834

IUPAC[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
SMILESCCC(C)(Pc1ccc(C)cc1CO)c1cc(C)ccc1OCc1ccccc1
InChIInChI=1S/C26H31O2P/c1-5-26(4,29-25-14-12-19(2)15-22(25)17-27)23-16-20(3)11-13-24(23)28-18-21-9-7-6-8-10-21/h6-16,27,29H,5,17-18H2,1-4H3
InChIKeyUVJODVOGSQGMHI-UHFFFAOYSA-N
MW406.51 g/mol
LogP6.00
Rot. Bonds8

About [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol

[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol (PubChem CID 71039834) has the molecular formula C26H31O2P and a molecular weight of 406.51 g/mol. Its IUPAC name is [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
PubChem CID71039834
Molecular FormulaC26H31O2P
Molecular Weight406.51 g/mol
Exact Mass406.21
IUPAC Name[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
SMILESCCC(C)(Pc1ccc(C)cc1CO)c1cc(C)ccc1OCc1ccccc1
InChIInChI=1S/C26H31O2P/c1-5-26(4,29-25-14-12-19(2)15-22(25)17-27)23-16-20(3)11-13-24(23)28-18-21-9-7-6-8-10-21/h6-16,27,29H,5,17-18H2,1-4H3
InChIKeyUVJODVOGSQGMHI-UHFFFAOYSA-N
XLogP6.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
CID 71040075
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 71191834
[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
CID 71191686
2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
CID 71039912
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 89214352
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
CID 70807417
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
CID 71039825
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 70807329
dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
CID 71039959

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol?
The IUPAC name of [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol (CID 71039834) is [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol.
What is the SMILES notation for [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol?
The canonical SMILES for [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol is CCC(C)(Pc1ccc(C)cc1CO)c1cc(C)ccc1OCc1ccccc1.
What is the InChIKey of [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol?
The InChIKey is UVJODVOGSQGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31O2P/c1-5-26(4,29-25-14-12-19(2)15-22(25)17-27)23-16-20(3)11-13-24(23)28-18-21-9-7-6-8-10-21/h6-16,27,29H,5,17-18H2,1-4H3.
What are the key properties of [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol?
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol has a molecular weight of 406.51 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol is sourced from PubChem (CID 71039834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).