(2-ethylphenyl) 2-methylbut-2-enoate

C13H16O2 — CID 175294734

IUPAC(2-ethylphenyl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)Oc1ccccc1CC
InChIInChI=1S/C13H16O2/c1-4-10(3)13(14)15-12-9-7-6-8-11(12)5-2/h4,6-9H,5H2,1-3H3
InChIKeyHKNIEWCZAYKFDP-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.12
Rot. Bonds3

About (2-ethylphenyl) 2-methylbut-2-enoate

(2-ethylphenyl) 2-methylbut-2-enoate (PubChem CID 175294734) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-ethylphenyl) 2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-ethylphenyl) 2-methylbut-2-enoate
PubChem CID175294734
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2-ethylphenyl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)Oc1ccccc1CC
InChIInChI=1S/C13H16O2/c1-4-10(3)13(14)15-12-9-7-6-8-11(12)5-2/h4,6-9H,5H2,1-3H3
InChIKeyHKNIEWCZAYKFDP-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

phenanthren-4-yl 2-methylbut-2-enoate
CID 175406397
(2-ethylphenyl) methyl carbonate
CID 67179071
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate
CID 174724665
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
CID 73426848
carboxy (2-ethylphenyl) carbonate
CID 150563443
4-(2-ethylphenoxy)-4-oxobutanoic acid
CID 54077022
(2-ethylphenyl) 2,2-dimethylbutanoate
CID 174752063
[2-[4-(2-acetyloxyphenyl)but-2-enyl]phenyl] acetate
CID 123328089
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl) 2-methylbut-2-enoate?
The IUPAC name of (2-ethylphenyl) 2-methylbut-2-enoate (CID 175294734) is (2-ethylphenyl) 2-methylbut-2-enoate.
What is the SMILES notation for (2-ethylphenyl) 2-methylbut-2-enoate?
The canonical SMILES for (2-ethylphenyl) 2-methylbut-2-enoate is CC=C(C)C(=O)Oc1ccccc1CC.
What is the InChIKey of (2-ethylphenyl) 2-methylbut-2-enoate?
The InChIKey is HKNIEWCZAYKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-10(3)13(14)15-12-9-7-6-8-11(12)5-2/h4,6-9H,5H2,1-3H3.
What are the key properties of (2-ethylphenyl) 2-methylbut-2-enoate?
(2-ethylphenyl) 2-methylbut-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl) 2-methylbut-2-enoate is sourced from PubChem (CID 175294734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).