(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate

C23H30O4 — CID 59265270

IUPAC(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
SMILESCC(C)(C)c1cc(COC(=O)Cc2ccc(O)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30O4/c1-22(2,3)18-11-16(12-19(21(18)26)23(4,5)6)14-27-20(25)13-15-7-9-17(24)10-8-15/h7-12,24,26H,13-14H2,1-6H3
InChIKeyXTZDGIHQFQIQEH-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.98
Rot. Bonds4

About (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate

(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate (PubChem CID 59265270) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
PubChem CID59265270
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
SMILESCC(C)(C)c1cc(COC(=O)Cc2ccc(O)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30O4/c1-22(2,3)18-11-16(12-19(21(18)26)23(4,5)6)14-27-20(25)13-15-7-9-17(24)10-8-15/h7-12,24,26H,13-14H2,1-6H3
InChIKeyXTZDGIHQFQIQEH-UHFFFAOYSA-N
XLogP4.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-tert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate;2,6-ditert-butyl-4-(hydroxymethyl)phenol;methyl 2-(4-hydroxyphenyl)acetate
CID 159240279
bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] propanedioate
CID 54266161
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl 4-hydroxybenzoate);ethane
CID 158813585
(3,5-ditert-butyl-4-hydroxyphenyl)methyl 3-oxobutanoate
CID 154392115
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]-3-[3-(4-hydroxyphenyl)propanoyloxy]-2-[3-(4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(4-hydroxyphenyl)propanoate
CID 140565721
tris((3,5-ditert-butyl-4-hydroxyphenyl)methyl benzoate);phosphorous acid
CID 175341623
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl 4-hydroxybenzoate);ethane;oxolane
CID 161450895
O-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] ethanethioate
CID 87143193
(3,5-ditert-butyl-4-hydroxyphenyl)methyl N-[6-[(3,5-ditert-butyl-4-hydroxyphenyl)methoxycarbonylamino]hexyl]carbamate
CID 100920458
butyl (3,5-ditert-butyl-4-hydroxyphenyl)methyl carbonate
CID 87837338
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate?
The IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate (CID 59265270) is (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate is CC(C)(C)c1cc(COC(=O)Cc2ccc(O)cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate?
The InChIKey is XTZDGIHQFQIQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-22(2,3)18-11-16(12-19(21(18)26)23(4,5)6)14-27-20(25)13-15-7-9-17(24)10-8-15/h7-12,24,26H,13-14H2,1-6H3.
What are the key properties of (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate?
(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate has a molecular weight of 370.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 59265270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).