2-methylpropyl 4-hydroxybenzoate

C11H14O3 — CID 20240

IUPAC2-methylpropyl 4-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyXPJVKCRENWUEJH-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.20
Rot. Bonds3

About 2-methylpropyl 4-hydroxybenzoate

2-methylpropyl 4-hydroxybenzoate (PubChem CID 20240) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methylpropyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-methylpropyl 4-hydroxybenzoate
PubChem CID20240
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-methylpropyl 4-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyXPJVKCRENWUEJH-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Methyl Salicylate
CID 4133
Propyl Gallate
CID 4947
Ethylparaben
CID 8434
Benzyl 4-Hydroxybenzoate
CID 7180
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365
Heptyl p-hydroxybenzoate
CID 14138
Ethyl gallate
CID 13250

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-hydroxybenzoate?
The IUPAC name of 2-methylpropyl 4-hydroxybenzoate (CID 20240) is 2-methylpropyl 4-hydroxybenzoate.
What is the SMILES notation for 2-methylpropyl 4-hydroxybenzoate?
The canonical SMILES for 2-methylpropyl 4-hydroxybenzoate is CC(C)COC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-methylpropyl 4-hydroxybenzoate?
The InChIKey is XPJVKCRENWUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-methylpropyl 4-hydroxybenzoate?
2-methylpropyl 4-hydroxybenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-hydroxybenzoate is sourced from PubChem (CID 20240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).