(4-tert-butyl-2-hydroxyphenyl) acetate

C12H16O3 — CID 13029116

IUPAC(4-tert-butyl-2-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(C(C)(C)C)cc1O
InChIInChI=1S/C12H16O3/c1-8(13)15-11-6-5-9(7-10(11)14)12(2,3)4/h5-7,14H,1-4H3
InChIKeyCJYODQQUUNNRDB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.62
Rot. Bonds1

About (4-tert-butyl-2-hydroxyphenyl) acetate

(4-tert-butyl-2-hydroxyphenyl) acetate (PubChem CID 13029116) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-tert-butyl-2-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(4-tert-butyl-2-hydroxyphenyl) acetate
PubChem CID13029116
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(4-tert-butyl-2-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(C(C)(C)C)cc1O
InChIInChI=1S/C12H16O3/c1-8(13)15-11-6-5-9(7-10(11)14)12(2,3)4/h5-7,14H,1-4H3
InChIKeyCJYODQQUUNNRDB-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate
CID 164830284
3-(2-acetyloxy-5-tert-butylphenyl)prop-2-enoic acid
CID 91083822
[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl] acetate
CID 122603285
(3-tert-butyl-4-hydroxy-2-iodophenyl) acetate
CID 87177872
(4-tert-butyl-2-hydroxyphenyl) 3,4-dimethoxy-5-methylbenzoate
CID 59969118
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-hydroxyphenyl] acetate
CID 171244321
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171251053
[4-(1,2-dihydroxyethyl)-2-hydroxyphenyl] acetate
CID 118508669
(4-tert-butyl-2-hydroxyphenyl) (Z)-3-methyl-6-methylsulfanylhex-5-enoate
CID 142005736
[4-[2-[2-acetyloxy-5-[2-[4-acetyloxy-3-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl] acetate
CID 102067968
[2-bromo-4-(trifluoromethyl)phenyl] acetate
CID 67308529
[2-(2-acetyloxy-1,3-dioxo-5,6-dihydroinden-2-yl)-4-tert-butylphenyl] acetate
CID 138714708

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-hydroxyphenyl) acetate?
The IUPAC name of (4-tert-butyl-2-hydroxyphenyl) acetate (CID 13029116) is (4-tert-butyl-2-hydroxyphenyl) acetate.
What is the SMILES notation for (4-tert-butyl-2-hydroxyphenyl) acetate?
The canonical SMILES for (4-tert-butyl-2-hydroxyphenyl) acetate is CC(=O)Oc1ccc(C(C)(C)C)cc1O.
What is the InChIKey of (4-tert-butyl-2-hydroxyphenyl) acetate?
The InChIKey is CJYODQQUUNNRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(13)15-11-6-5-9(7-10(11)14)12(2,3)4/h5-7,14H,1-4H3.
What are the key properties of (4-tert-butyl-2-hydroxyphenyl) acetate?
(4-tert-butyl-2-hydroxyphenyl) acetate has a molecular weight of 208.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-hydroxyphenyl) acetate is sourced from PubChem (CID 13029116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).