ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate

C12H14O3 — CID 86730658

IUPACethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(O)cc1C
InChIInChI=1S/C12H14O3/c1-3-15-12(14)7-5-10-4-6-11(13)8-9(10)2/h4-8,13H,3H2,1-2H3/b7-5+
InChIKeyGUNRUFWTVMKASW-FNORWQNLSA-N
MW206.24 g/mol
LogP2.28
Rot. Bonds3

About ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate

ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate (PubChem CID 86730658) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
PubChem CID86730658
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(O)cc1C
InChIInChI=1S/C12H14O3/c1-3-15-12(14)7-5-10-4-6-11(13)8-9(10)2/h4-8,13H,3H2,1-2H3/b7-5+
InChIKeyGUNRUFWTVMKASW-FNORWQNLSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.28
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

ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
2-cyanoethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 129252709
ethyl 3-(5-fluoro-4-hydroxy-2-methylphenyl)prop-2-enoate
CID 76832046
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
ethyl (E)-3-(4-chloro-2-fluorophenyl)prop-2-enoate
CID 11009728
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl 3-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
CID 131439092
ethyl (E)-3-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
CID 135741445
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 90656941
ethyl (E)-3-(2-chloro-4-methylphenyl)prop-2-enoate
CID 11064102

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate (CID 86730658) is ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate is CCOC(=O)/C=C/c1ccc(O)cc1C.
What is the InChIKey of ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate?
The InChIKey is GUNRUFWTVMKASW-FNORWQNLSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-15-12(14)7-5-10-4-6-11(13)8-9(10)2/h4-8,13H,3H2,1-2H3/b7-5+.
What are the key properties of ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate?
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate is sourced from PubChem (CID 86730658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).