(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate

C16H27O5P — CID 5134279

IUPAC(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate
SMILESCOP(=O)(OC)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H27O5P/c1-15(2,3)12-9-11(21-22(18,19-7)20-8)10-13(14(12)17)16(4,5)6/h9-10,17H,1-8H3
InChIKeyLQJXWIQPXVIPGW-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.77
Rot. Bonds4

About (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate

(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate (PubChem CID 5134279) has the molecular formula C16H27O5P and a molecular weight of 330.36 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate
PubChem CID5134279
Molecular FormulaC16H27O5P
Molecular Weight330.36 g/mol
Exact Mass330.16
IUPAC Name(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate
SMILESCOP(=O)(OC)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H27O5P/c1-15(2,3)12-9-11(21-22(18,19-7)20-8)10-13(14(12)17)16(4,5)6/h9-10,17H,1-8H3
InChIKeyLQJXWIQPXVIPGW-UHFFFAOYSA-N
XLogP4.77
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-ditert-butyl-4-methoxyphenol
CID 10269
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)
CID 15752109
[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium
CID 169040458
2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol
CID 22163155
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate
CID 118589716
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
(3,5-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphate;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 88821068
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
bis(3,5-ditert-butyl-2-hydroxyphenyl) hydrogen phosphate
CID 175526623
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate?
The IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate (CID 5134279) is (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate.
What is the SMILES notation for (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate?
The canonical SMILES for (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate is COP(=O)(OC)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate?
The InChIKey is LQJXWIQPXVIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O5P/c1-15(2,3)12-9-11(21-22(18,19-7)20-8)10-13(14(12)17)16(4,5)6/h9-10,17H,1-8H3.
What are the key properties of (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate?
(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate has a molecular weight of 330.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate is sourced from PubChem (CID 5134279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).