methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate

C13H14O3 — CID 139609247

IUPACmethyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate
SMILESC=Cc1ccc(O)c(/C=C(\C)C(=O)OC)c1
InChIInChI=1S/C13H14O3/c1-4-10-5-6-12(14)11(8-10)7-9(2)13(15)16-3/h4-8,14H,1H2,2-3H3/b9-7+
InChIKeyBIFVYKHEPPDXHI-VQHVLOKHSA-N
MW218.25 g/mol
LogP2.61
Rot. Bonds3

About methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate

methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate (PubChem CID 139609247) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate
PubChem CID139609247
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate
SMILESC=Cc1ccc(O)c(/C=C(\C)C(=O)OC)c1
InChIInChI=1S/C13H14O3/c1-4-10-5-6-12(14)11(8-10)7-9(2)13(15)16-3/h4-8,14H,1H2,2-3H3/b9-7+
InChIKeyBIFVYKHEPPDXHI-VQHVLOKHSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.61
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

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate
CID 139802018
2,4-bis(ethenyl)phenol
CID 18541843
methyl (E)-3-(4-bromophenyl)-2-methylprop-2-enoate
CID 16664756
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
methyl 3-(3,4-dihydroxyphenyl)-2-methoxyprop-2-enoate
CID 54517495
methyl 3-[4-hydroxy-3-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54338609
4-ethenyl-2-methoxyphenol;1-phenylethanone
CID 174742871
ethyl (E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enoate
CID 15311955
methyl (E)-3-(4-dimethylphosphoryloxyphenyl)-2-methylprop-2-enoate
CID 118603699
methyl 2-(4-ethenylphenyl)prop-2-enoate
CID 175494099
methyl (E)-3-(4-cyanophenyl)-2-methylprop-2-enoate
CID 101164622
methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
CID 134891901

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate (CID 139609247) is methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate is C=Cc1ccc(O)c(/C=C(\C)C(=O)OC)c1.
What is the InChIKey of methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate?
The InChIKey is BIFVYKHEPPDXHI-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H14O3/c1-4-10-5-6-12(14)11(8-10)7-9(2)13(15)16-3/h4-8,14H,1H2,2-3H3/b9-7+.
What are the key properties of methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate?
methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 139609247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).