2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate

C14H18O3 — CID 67989846

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H18O3/c1-9(2)14(16)17-6-5-12-7-10(3)13(15)11(4)8-12/h7-8,15H,1,5-6H2,2-4H3
InChIKeyZCVIUDLBRJFMHD-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate

2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate (PubChem CID 67989846) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate
PubChem CID67989846
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H18O3/c1-9(2)14(16)17-6-5-12-7-10(3)13(15)11(4)8-12/h7-8,15H,1,5-6H2,2-4H3
InChIKeyZCVIUDLBRJFMHD-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.67
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-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]ethyl 2-methylprop-2-enoate
CID 22723757
10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate
CID 177344521
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[3,4-bis(sulfanyl)phenyl]ethyl 2-methylprop-2-enoate
CID 129175213
ethane;2-(2-methylprop-2-enoyloxy)ethyl 5-ethyl-2,3-dimethylbenzoate
CID 156721369
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-[(26,27,28-trihydroxy-5,11,17,23-tetramethyl-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)oxy]ethyl 2-methylprop-2-enoate
CID 157416908
2-(4-formylphenyl)ethyl 2-methylprop-2-enoate
CID 132521284
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-(5-tert-butyl-2,3-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 175490941
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate (CID 67989846) is 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate?
The InChIKey is ZCVIUDLBRJFMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)14(16)17-6-5-12-7-10(3)13(15)11(4)8-12/h7-8,15H,1,5-6H2,2-4H3.
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate?
2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 67989846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).