(4-hydroxyphenyl) 2-methylbutanoate

C11H14O3 — CID 14573373

IUPAC(4-hydroxyphenyl) 2-methylbutanoate
SMILESCCC(C)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-3-8(2)11(13)14-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3
InChIKeyBZQDHZSCEMOENZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.34
Rot. Bonds3

About (4-hydroxyphenyl) 2-methylbutanoate

(4-hydroxyphenyl) 2-methylbutanoate (PubChem CID 14573373) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-methylbutanoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-methylbutanoate
PubChem CID14573373
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(4-hydroxyphenyl) 2-methylbutanoate
SMILESCCC(C)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-3-8(2)11(13)14-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3
InChIKeyBZQDHZSCEMOENZ-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.34
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

5-(4-hydroxyphenoxy)-2,4-dimethyl-5-oxopentanoic acid
CID 139447494
(4-phenylphenyl) (2S)-2-methylbutanoate
CID 18638110
(3,5-dihydroxyphenyl) 2-methylbutanoate
CID 162869792
(3,5-dihydroxyphenyl) (2R)-2-methylbutanoate
CID 162869793
[4-[4-(4-methoxyphenyl)phenyl]phenyl] 2-methylbutanoate
CID 22974655
(4-hydroxyphenyl) 2-iodobutanoate
CID 126723622
4-(2-methylbutanoyloxy)benzenesulfonate
CID 58391899
phenyl 2-methylbutanoate;trimethylalumane
CID 155613755
[4-(4-carbonochloridoylphenyl)phenyl] 2-methylbutanoate
CID 139602116
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate
CID 22976556
(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(6-hydroxynaphthalen-2-yl) 2-methylbutanoate
CID 161424798
[4-[2-(4-fluorophenyl)ethynyl]phenyl] 2-methylbutanoate
CID 22976491

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-methylbutanoate?
The IUPAC name of (4-hydroxyphenyl) 2-methylbutanoate (CID 14573373) is (4-hydroxyphenyl) 2-methylbutanoate.
What is the SMILES notation for (4-hydroxyphenyl) 2-methylbutanoate?
The canonical SMILES for (4-hydroxyphenyl) 2-methylbutanoate is CCC(C)C(=O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-methylbutanoate?
The InChIKey is BZQDHZSCEMOENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-8(2)11(13)14-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3.
What are the key properties of (4-hydroxyphenyl) 2-methylbutanoate?
(4-hydroxyphenyl) 2-methylbutanoate has a molecular weight of 194.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-methylbutanoate is sourced from PubChem (CID 14573373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).