[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol

C30H39O2P — CID 71191686

IUPAC[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
SMILESCCCC(C)(Pc1ccccc1CO)c1cc(C)cc(C(C)(C)C)c1OCc1ccccc1
InChIInChI=1S/C30H39O2P/c1-7-17-30(6,33-27-16-12-11-15-24(27)20-31)26-19-22(2)18-25(29(3,4)5)28(26)32-21-23-13-9-8-10-14-23/h8-16,18-19,31,33H,7,17,20-21H2,1-6H3
InChIKeyYLGVWSBAXHEFPC-UHFFFAOYSA-N
MW462.61 g/mol
LogP7.38
Rot. Bonds9

About [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol

[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol (PubChem CID 71191686) has the molecular formula C30H39O2P and a molecular weight of 462.61 g/mol. Its IUPAC name is [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
PubChem CID71191686
Molecular FormulaC30H39O2P
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC Name[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
SMILESCCCC(C)(Pc1ccccc1CO)c1cc(C)cc(C(C)(C)C)c1OCc1ccccc1
InChIInChI=1S/C30H39O2P/c1-7-17-30(6,33-27-16-12-11-15-24(27)20-31)26-19-22(2)18-25(29(3,4)5)28(26)32-21-23-13-9-8-10-14-23/h8-16,18-19,31,33H,7,17,20-21H2,1-6H3
InChIKeyYLGVWSBAXHEFPC-UHFFFAOYSA-N
XLogP7.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 57.38
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

1-[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]ethanol
CID 71191865
2-[2-(3,5-ditert-butyl-2-phenylmethoxyphenyl)hexan-2-ylphosphanyl]-5-methylbenzaldehyde
CID 88968940
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-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 70807359
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
CID 70807417
N-[[2-[3-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040012
2-(3,5-dibenzyl-2-phenylmethoxyphenyl)hexan-2-yl-(2-fluorophenyl)phosphane
CID 71040120
1-[2-[3-(3,5-ditert-butyl-2-phenylmethoxyphenyl)octan-3-ylphosphanyl]-5-methylphenyl]ethanone
CID 71191512
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 71191834
4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 70807329
2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
CID 88987874

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol?
The IUPAC name of [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol (CID 71191686) is [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol.
What is the SMILES notation for [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol?
The canonical SMILES for [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol is CCCC(C)(Pc1ccccc1CO)c1cc(C)cc(C(C)(C)C)c1OCc1ccccc1.
What is the InChIKey of [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol?
The InChIKey is YLGVWSBAXHEFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O2P/c1-7-17-30(6,33-27-16-12-11-15-24(27)20-31)26-19-22(2)18-25(29(3,4)5)28(26)32-21-23-13-9-8-10-14-23/h8-16,18-19,31,33H,7,17,20-21H2,1-6H3.
What are the key properties of [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol?
[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol has a molecular weight of 462.61 g/mol, XLogP of 7.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol is sourced from PubChem (CID 71191686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).