2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate

C14H18O4 — CID 5373773

IUPAC2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCOCCOC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+
InChIKeyCMDKPGRTAQVGFQ-RMKNXTFCSA-N
MW250.29 g/mol
LogP2.29
Rot. Bonds7

About 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate

2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 5373773) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID5373773
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCOCCOC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+
InChIKeyCMDKPGRTAQVGFQ-RMKNXTFCSA-N
XLogP2.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Octinoxate
CID 5355130
O-Methoxycinnamaldehyde, (E)-
CID 641298
Yangonin
CID 5281575
4-Methylphenyl acetate
CID 8797
4-Methoxycinnamic Acid
CID 699414
4-Methoxybenzyl acetate
CID 7695
2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
CID 21630
1'-Acetoxychavicol Acetate
CID 119104
Amiloxate
CID 1549789
1-(4-Methoxyphenyl)-1-penten-3-one
CID 5803450
Isoeugenyl acetate
CID 876160
3,4-Dimethoxycinnamic acid
CID 717531

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 5373773) is 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate is CCOCCOC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is CMDKPGRTAQVGFQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+.
What are the key properties of 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 5373773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).