propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate

C14H18O3 — CID 77493840

IUPACpropan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1C=CC(=O)OC(C)C
InChIInChI=1S/C14H18O3/c1-4-16-13-8-6-5-7-12(13)9-10-14(15)17-11(2)3/h5-11H,4H2,1-3H3
InChIKeyNTLQNMNCZGHILW-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.05
Rot. Bonds5

About propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate

propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate (PubChem CID 77493840) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
PubChem CID77493840
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namepropan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1C=CC(=O)OC(C)C
InChIInChI=1S/C14H18O3/c1-4-16-13-8-6-5-7-12(13)9-10-14(15)17-11(2)3/h5-11H,4H2,1-3H3
InChIKeyNTLQNMNCZGHILW-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850662
[1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 42986018
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 55322242
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7630797
butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 130331874
(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8764069
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850747
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8938117
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate?
The IUPAC name of propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate (CID 77493840) is propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate is CCOc1ccccc1C=CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate?
The InChIKey is NTLQNMNCZGHILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-16-13-8-6-5-7-12(13)9-10-14(15)17-11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate?
propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 77493840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).