[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate

C12H14O4 — CID 135269778

IUPAC[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)Oc1ccc(C)cc1
InChIInChI=1S/C12H14O4/c1-8(2)11(13)16-12(14)15-10-6-4-9(3)5-7-10/h4-7,12,14H,1H2,2-3H3
InChIKeyPEQKWWMETPHXPH-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.77
Rot. Bonds4

About [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate

[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate (PubChem CID 135269778) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate
PubChem CID135269778
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)Oc1ccc(C)cc1
InChIInChI=1S/C12H14O4/c1-8(2)11(13)16-12(14)15-10-6-4-9(3)5-7-10/h4-7,12,14H,1H2,2-3H3
InChIKeyPEQKWWMETPHXPH-UHFFFAOYSA-N
XLogP1.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999
[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate
CID 141366853
(2R,3R)-2-hydroxy-3-(4-methylphenoxy)butanedioic acid
CID 69002771
1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22602054
[2-hydroxy-1-(3-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 70567032
[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 59609170
1-(4-carbonochloridoylphenoxy)ethyl 2-methylprop-2-enoate
CID 19025994
1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate
CID 67046061
[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
[(3,5-dimethylphenyl)-hydroxymethyl] 2-methylprop-2-enoate
CID 178023104
[[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]-hydroxymethoxy]methyl 2-methylprop-2-enoate
CID 135163247
[4-[4-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] 2-methylprop-2-enoate
CID 135133350

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate?
The IUPAC name of [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate (CID 135269778) is [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(O)Oc1ccc(C)cc1.
What is the InChIKey of [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate?
The InChIKey is PEQKWWMETPHXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(2)11(13)16-12(14)15-10-6-4-9(3)5-7-10/h4-7,12,14H,1H2,2-3H3.
What are the key properties of [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate?
[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate has a molecular weight of 222.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 135269778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).