[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate

C12H14O3 — CID 66870935

IUPAC[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccccc1CO
InChIInChI=1S/C12H14O3/c1-9(2)12(14)15-8-11-6-4-3-5-10(11)7-13/h3-6,13H,1,7-8H2,2H3
InChIKeyNTRLONPULPLWLS-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.80
Rot. Bonds4

About [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate

[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 66870935) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
PubChem CID66870935
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccccc1CO
InChIInChI=1S/C12H14O3/c1-9(2)12(14)15-8-11-6-4-3-5-10(11)7-13/h3-6,13H,1,7-8H2,2H3
InChIKeyNTRLONPULPLWLS-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
CID 67159219
CID 67159219
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193028
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
[2-(oxetan-2-yl)phenyl]methyl 2-methylprop-2-enoate
CID 140573323
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
CID 172855401
10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid
CID 129174154

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate (CID 66870935) is [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccccc1CO.
What is the InChIKey of [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is NTRLONPULPLWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(2)12(14)15-8-11-6-4-3-5-10(11)7-13/h3-6,13H,1,7-8H2,2H3.
What are the key properties of [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate?
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 66870935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).