tert-butyl 3-hydroxybenzoate

C11H14O3 — CID 13382081

IUPACtert-butyl 3-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3
InChIKeyXAOVNTXDHGDNBG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.35
Rot. Bonds1

About tert-butyl 3-hydroxybenzoate

tert-butyl 3-hydroxybenzoate (PubChem CID 13382081) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is tert-butyl 3-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 3-hydroxybenzoate
PubChem CID13382081
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nametert-butyl 3-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3
InChIKeyXAOVNTXDHGDNBG-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxybenzoate?
The IUPAC name of tert-butyl 3-hydroxybenzoate (CID 13382081) is tert-butyl 3-hydroxybenzoate.
What is the SMILES notation for tert-butyl 3-hydroxybenzoate?
The canonical SMILES for tert-butyl 3-hydroxybenzoate is CC(C)(C)OC(=O)c1cccc(O)c1.
What is the InChIKey of tert-butyl 3-hydroxybenzoate?
The InChIKey is XAOVNTXDHGDNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3.
What are the key properties of tert-butyl 3-hydroxybenzoate?
tert-butyl 3-hydroxybenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxybenzoate is sourced from PubChem (CID 13382081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).