2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C21H24O7 — CID 146223044

IUPAC2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
SMILESCCOc1cc(CCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C21H24O7/c1-4-27-17-11-14(5-7-16(17)22)9-10-28-20(23)8-6-15-12-18(25-2)21(24)19(13-15)26-3/h5-8,11-13,22,24H,4,9-10H2,1-3H3/b8-6+
InChIKeyOHBFIGHAJBEIMF-SOFGYWHQSA-N
MW388.42 g/mol
LogP3.31
Rot. Bonds9

About 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 146223044) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID146223044
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
SMILESCCOc1cc(CCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C21H24O7/c1-4-27-17-11-14(5-7-16(17)22)9-10-28-20(23)8-6-15-12-18(25-2)21(24)19(13-15)26-3/h5-8,11-13,22,24H,4,9-10H2,1-3H3/b8-6+
InChIKeyOHBFIGHAJBEIMF-SOFGYWHQSA-N
XLogP3.31
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 86717646
2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
CID 155112210
(4-hydroxy-3-methoxyphenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420100
1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11967021
2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
CID 54470093
2-(4-hydroxyphenyl)ethyl (E)-3-(4-amino-3-methoxyphenyl)prop-2-enoate
CID 127049906
octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5320256
pentacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163044714
nonadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 101186931
icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6440080
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (CID 146223044) is 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate is CCOc1cc(CCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is OHBFIGHAJBEIMF-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H24O7/c1-4-27-17-11-14(5-7-16(17)22)9-10-28-20(23)8-6-15-12-18(25-2)21(24)19(13-15)26-3/h5-8,11-13,22,24H,4,9-10H2,1-3H3/b8-6+.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 388.42 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 146223044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).