2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C13H16O5 — CID 86717646

IUPAC2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOCCOC(=O)C=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C13H16O5/c1-16-7-8-18-13(15)6-4-10-3-5-11(14)12(9-10)17-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyFXBWLAUQQQHKPD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.60
Rot. Bonds6

About 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 86717646) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID86717646
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOCCOC(=O)C=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C13H16O5/c1-16-7-8-18-13(15)6-4-10-3-5-11(14)12(9-10)17-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyFXBWLAUQQQHKPD-UHFFFAOYSA-N
XLogP1.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11967021
2-methoxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 138530546
2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
CID 54470093
octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5320256
pentacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163044714
icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6440080
nonadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 101186931
pentadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11407056
[(2S)-2,3-dimethoxypropyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 162830856
2-(4-bromophenoxy)ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5165214
23-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytricosanoic acid
CID 101364189
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CID 86717646) is 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is COCCOC(=O)C=Cc1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is FXBWLAUQQQHKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-16-7-8-18-13(15)6-4-10-3-5-11(14)12(9-10)17-2/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 252.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 86717646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).