propan-2-yl 4-hydroxybenzoate

C10H12O3 — CID 20161

IUPACpropan-2-yl 4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3
InChIKeyCMHMMKSPYOOVGI-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.96
Rot. Bonds2

About propan-2-yl 4-hydroxybenzoate

propan-2-yl 4-hydroxybenzoate (PubChem CID 20161) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is propan-2-yl 4-hydroxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-hydroxybenzoate
PubChem CID20161
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namepropan-2-yl 4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3
InChIKeyCMHMMKSPYOOVGI-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-hydroxybenzoate?
The IUPAC name of propan-2-yl 4-hydroxybenzoate (CID 20161) is propan-2-yl 4-hydroxybenzoate.
What is the SMILES notation for propan-2-yl 4-hydroxybenzoate?
The canonical SMILES for propan-2-yl 4-hydroxybenzoate is CC(C)OC(=O)c1ccc(O)cc1.
What is the InChIKey of propan-2-yl 4-hydroxybenzoate?
The InChIKey is CMHMMKSPYOOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3.
What are the key properties of propan-2-yl 4-hydroxybenzoate?
propan-2-yl 4-hydroxybenzoate has a molecular weight of 180.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-hydroxybenzoate is sourced from PubChem (CID 20161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).