propan-2-yl 4-(hydroxymethyl)benzoate

C11H14O3 — CID 78907782

IUPACpropan-2-yl 4-(hydroxymethyl)benzoate
SMILESCC(C)OC(=O)c1ccc(CO)cc1
InChIInChI=1S/C11H14O3/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyBWNKHBBTNSHRHH-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.74
Rot. Bonds3

About propan-2-yl 4-(hydroxymethyl)benzoate

propan-2-yl 4-(hydroxymethyl)benzoate (PubChem CID 78907782) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is propan-2-yl 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(hydroxymethyl)benzoate
PubChem CID78907782
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namepropan-2-yl 4-(hydroxymethyl)benzoate
SMILESCC(C)OC(=O)c1ccc(CO)cc1
InChIInChI=1S/C11H14O3/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyBWNKHBBTNSHRHH-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-ethylbenzoate
CID 583760
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-(methylsulfanylmethyl)benzoate
CID 78907964
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 3681779
2-methylpropyl 4-(hydroxymethyl)benzoate
CID 150293038
propan-2-yl 4-acetylbenzoate
CID 10878303
propan-2-yl 4-(3-chloropropyl)benzoate
CID 133056117
propan-2-yl 4-(nitrooxymethyl)benzoate
CID 89112347
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 7540141
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(hydroxymethyl)benzoate?
The IUPAC name of propan-2-yl 4-(hydroxymethyl)benzoate (CID 78907782) is propan-2-yl 4-(hydroxymethyl)benzoate.
What is the SMILES notation for propan-2-yl 4-(hydroxymethyl)benzoate?
The canonical SMILES for propan-2-yl 4-(hydroxymethyl)benzoate is CC(C)OC(=O)c1ccc(CO)cc1.
What is the InChIKey of propan-2-yl 4-(hydroxymethyl)benzoate?
The InChIKey is BWNKHBBTNSHRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of propan-2-yl 4-(hydroxymethyl)benzoate?
propan-2-yl 4-(hydroxymethyl)benzoate has a molecular weight of 194.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 78907782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).