2-methylpropyl 2-hydroxybenzoate

C11H14O3 — CID 6873

IUPAC2-methylpropyl 2-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccccc1O
InChIInChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChIKeyPTXDBYSCVQQBNF-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.20
Rot. Bonds3

About 2-methylpropyl 2-hydroxybenzoate

2-methylpropyl 2-hydroxybenzoate (PubChem CID 6873) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methylpropyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-methylpropyl 2-hydroxybenzoate
PubChem CID6873
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-methylpropyl 2-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccccc1O
InChIInChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChIKeyPTXDBYSCVQQBNF-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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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-hydroxybenzoate?
The IUPAC name of 2-methylpropyl 2-hydroxybenzoate (CID 6873) is 2-methylpropyl 2-hydroxybenzoate.
What is the SMILES notation for 2-methylpropyl 2-hydroxybenzoate?
The canonical SMILES for 2-methylpropyl 2-hydroxybenzoate is CC(C)COC(=O)c1ccccc1O.
What is the InChIKey of 2-methylpropyl 2-hydroxybenzoate?
The InChIKey is PTXDBYSCVQQBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-methylpropyl 2-hydroxybenzoate?
2-methylpropyl 2-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 2-hydroxybenzoate is sourced from PubChem (CID 6873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).