1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol

C27H33O2P — CID 70807417

IUPAC1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
SMILESCCC(C)(Pc1ccccc1C(C)O)c1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C27H33O2P/c1-6-27(5,30-25-15-11-10-14-23(25)21(4)28)24-17-19(2)16-20(3)26(24)29-18-22-12-8-7-9-13-22/h7-17,21,28,30H,6,18H2,1-5H3
InChIKeyYDVKLFVWVXVNJV-UHFFFAOYSA-N
MW420.53 g/mol
LogP6.56
Rot. Bonds8

About 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol

1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol (PubChem CID 70807417) has the molecular formula C27H33O2P and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
PubChem CID70807417
Molecular FormulaC27H33O2P
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Name1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
SMILESCCC(C)(Pc1ccccc1C(C)O)c1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C27H33O2P/c1-6-27(5,30-25-15-11-10-14-23(25)21(4)28)24-17-19(2)16-20(3)26(24)29-18-22-12-8-7-9-13-22/h7-17,21,28,30H,6,18H2,1-5H3
InChIKeyYDVKLFVWVXVNJV-UHFFFAOYSA-N
XLogP6.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 56.56
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
1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol
CID 89214631
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]-N-methyl-1-phenylmethanimine
CID 88968917
N-benzyl-N-[[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040157
[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
CID 71191686
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
CID 89214388
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
CID 71040075
2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
CID 71040119
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
CID 71039825
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol?
The IUPAC name of 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol (CID 70807417) is 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol?
The canonical SMILES for 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol is CCC(C)(Pc1ccccc1C(C)O)c1cc(C)cc(C)c1OCc1ccccc1.
What is the InChIKey of 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol?
The InChIKey is YDVKLFVWVXVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O2P/c1-6-27(5,30-25-15-11-10-14-23(25)21(4)28)24-17-19(2)16-20(3)26(24)29-18-22-12-8-7-9-13-22/h7-17,21,28,30H,6,18H2,1-5H3.
What are the key properties of 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol?
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol has a molecular weight of 420.53 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol is sourced from PubChem (CID 70807417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).