(4-ethoxyphenyl) 2-methylpent-2-enoate

C14H18O3 — CID 175299666

IUPAC(4-ethoxyphenyl) 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)Oc1ccc(OCC)cc1
InChIInChI=1S/C14H18O3/c1-4-6-11(3)14(15)17-13-9-7-12(8-10-13)16-5-2/h6-10H,4-5H2,1-3H3
InChIKeyORDZEIPAVVALKW-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.35
Rot. Bonds5

About (4-ethoxyphenyl) 2-methylpent-2-enoate

(4-ethoxyphenyl) 2-methylpent-2-enoate (PubChem CID 175299666) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (4-ethoxyphenyl) 2-methylpent-2-enoate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 2-methylpent-2-enoate
PubChem CID175299666
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(4-ethoxyphenyl) 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)Oc1ccc(OCC)cc1
InChIInChI=1S/C14H18O3/c1-4-6-11(3)14(15)17-13-9-7-12(8-10-13)16-5-2/h6-10H,4-5H2,1-3H3
InChIKeyORDZEIPAVVALKW-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
CID 73426848
4-(4-ethoxyphenoxy)-2-methylbut-2-enoic acid
CID 77075751
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate
CID 77100339
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
[4-(oxiran-2-ylmethoxy)phenyl] 2-methylbut-2-enoate
CID 174782278
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl]-diphenylsulfanium
CID 167388328
1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
CID 43411658

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 2-methylpent-2-enoate?
The IUPAC name of (4-ethoxyphenyl) 2-methylpent-2-enoate (CID 175299666) is (4-ethoxyphenyl) 2-methylpent-2-enoate.
What is the SMILES notation for (4-ethoxyphenyl) 2-methylpent-2-enoate?
The canonical SMILES for (4-ethoxyphenyl) 2-methylpent-2-enoate is CCC=C(C)C(=O)Oc1ccc(OCC)cc1.
What is the InChIKey of (4-ethoxyphenyl) 2-methylpent-2-enoate?
The InChIKey is ORDZEIPAVVALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-6-11(3)14(15)17-13-9-7-12(8-10-13)16-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of (4-ethoxyphenyl) 2-methylpent-2-enoate?
(4-ethoxyphenyl) 2-methylpent-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 2-methylpent-2-enoate is sourced from PubChem (CID 175299666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).