(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate

C17H18O3 — CID 3086389

IUPAC(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
SMILESCC(C)c1ccc(COC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H18O3/c1-12(2)14-9-7-13(8-10-14)11-20-17(19)15-5-3-4-6-16(15)18/h3-10,12,18H,11H2,1-2H3
InChIKeyAALXZHPCKJILAZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.87
Rot. Bonds4

About (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate

(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate (PubChem CID 3086389) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
PubChem CID3086389
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
SMILESCC(C)c1ccc(COC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H18O3/c1-12(2)14-9-7-13(8-10-14)11-20-17(19)15-5-3-4-6-16(15)18/h3-10,12,18H,11H2,1-2H3
InChIKeyAALXZHPCKJILAZ-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate (CID 3086389) is (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate is CC(C)c1ccc(COC(=O)c2ccccc2O)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
The InChIKey is AALXZHPCKJILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)14-9-7-13(8-10-14)11-20-17(19)15-5-3-4-6-16(15)18/h3-10,12,18H,11H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate has a molecular weight of 270.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate is sourced from PubChem (CID 3086389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).