(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate

C18H18O3 — CID 19207618

IUPAC(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C/C(=O)Oc1ccc(C)cc1
InChIInChI=1S/C18H18O3/c1-3-20-17-7-5-4-6-15(17)10-13-18(19)21-16-11-8-14(2)9-12-16/h4-13H,3H2,1-2H3/b13-10+
InChIKeyLDILTUGPJRMZCP-JLHYYAGUSA-N
MW282.34 g/mol
LogP4.01
Rot. Bonds5

About (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate

(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate (PubChem CID 19207618) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
PubChem CID19207618
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C/C(=O)Oc1ccc(C)cc1
InChIInChI=1S/C18H18O3/c1-3-20-17-7-5-4-6-15(17)10-13-18(19)21-16-11-8-14(2)9-12-16/h4-13H,3H2,1-2H3/b13-10+
InChIKeyLDILTUGPJRMZCP-JLHYYAGUSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.01
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-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207703
(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8764069
benzyl 4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxybenzoate
CID 19207652
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(4-bromophenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207692
(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207715
(4-tert-butylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207685
propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207721

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate (CID 19207618) is (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate is CCOc1ccccc1/C=C/C(=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The InChIKey is LDILTUGPJRMZCP-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-20-17-7-5-4-6-15(17)10-13-18(19)21-16-11-8-14(2)9-12-16/h4-13H,3H2,1-2H3/b13-10+.
What are the key properties of (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19207618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).