2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol

C17H29O4P — CID 170064546

IUPAC2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol
SMILESCCCOP(=O)(Cc1ccc(O)c(C(C)(C)C)c1)OCCC
InChIInChI=1S/C17H29O4P/c1-6-10-20-22(19,21-11-7-2)13-14-8-9-16(18)15(12-14)17(3,4)5/h8-9,12,18H,6-7,10-11,13H2,1-5H3
InChIKeyCFVYJCURXYLXNE-UHFFFAOYSA-N
MW328.39 g/mol
LogP5.24
Rot. Bonds8

About 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol

2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol (PubChem CID 170064546) has the molecular formula C17H29O4P and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol
PubChem CID170064546
Molecular FormulaC17H29O4P
Molecular Weight328.39 g/mol
Exact Mass328.18
IUPAC Name2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol
SMILESCCCOP(=O)(Cc1ccc(O)c(C(C)(C)C)c1)OCCC
InChIInChI=1S/C17H29O4P/c1-6-10-20-22(19,21-11-7-2)13-14-8-9-16(18)15(12-14)17(3,4)5/h8-9,12,18H,6-7,10-11,13H2,1-5H3
InChIKeyCFVYJCURXYLXNE-UHFFFAOYSA-N
XLogP5.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-(didodecoxyphosphorylmethyl)phenol
CID 23358457
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408
2-tert-butyl-4-pentylphenol
CID 19933254
2-[(3-tert-butyl-4-hydroxyphenyl)methyl]icosanoic acid
CID 87131617
1,4-bis(dibutoxyphosphorylmethyl)benzene
CID 101243552
2-tert-butyl-4-(phosphorosooxymethyl)phenol
CID 175331507
methyl 2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-4,4-dimethylpentanoate
CID 87626930
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate;methane
CID 158091243
4-[bis(4-nonylphenoxy)phosphorylmethyl]-2,6-ditert-butylphenol
CID 10996113
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol?
The IUPAC name of 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol (CID 170064546) is 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol is CCCOP(=O)(Cc1ccc(O)c(C(C)(C)C)c1)OCCC.
What is the InChIKey of 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol?
The InChIKey is CFVYJCURXYLXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O4P/c1-6-10-20-22(19,21-11-7-2)13-14-8-9-16(18)15(12-14)17(3,4)5/h8-9,12,18H,6-7,10-11,13H2,1-5H3.
What are the key properties of 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol?
2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol has a molecular weight of 328.39 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol is sourced from PubChem (CID 170064546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).