[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate

C13H16O3 — CID 139641232

IUPAC[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(CCO)cc1
InChIInChI=1S/C13H16O3/c1-10(2)13(15)16-9-12-5-3-11(4-6-12)7-8-14/h3-6,14H,1,7-9H2,2H3
InChIKeyQLAYWFYURGAEQG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.84
Rot. Bonds5

About [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate

[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 139641232) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
PubChem CID139641232
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(CCO)cc1
InChIInChI=1S/C13H16O3/c1-10(2)13(15)16-9-12-5-3-11(4-6-12)7-8-14/h3-6,14H,1,7-9H2,2H3
InChIKeyQLAYWFYURGAEQG-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.84
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

benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]sulfonylphenyl]methyl 2-methylprop-2-enoate
CID 156621377
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[4-(4-bromophenyl)phenyl]methyl 2-methylprop-2-enoate
CID 140797428
(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 67777483
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
[5-(3-fluoropropyl)-2-[4-(2-hydroxyethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 134193218
[4-(benzenesulfonyl)phenyl]methyl 2-methylprop-2-enoate
CID 101049518

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate (CID 139641232) is [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc(CCO)cc1.
What is the InChIKey of [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is QLAYWFYURGAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(2)13(15)16-9-12-5-3-11(4-6-12)7-8-14/h3-6,14H,1,7-9H2,2H3.
What are the key properties of [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate?
[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 139641232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).