3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid

C20H22O7 — CID 175352669

IUPAC3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(C=C(C(=O)O)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H22O7/c1-5-27-16-7-6-12(9-15(16)21)8-14(20(22)23)13-10-17(24-2)19(26-4)18(11-13)25-3/h6-11,21H,5H2,1-4H3,(H,22,23)
InChIKeyDTCJZZHCELCGHX-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.44
Rot. Bonds8

About 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid

3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid (PubChem CID 175352669) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
PubChem CID175352669
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(C=C(C(=O)O)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H22O7/c1-5-27-16-7-6-12(9-15(16)21)8-14(20(22)23)13-10-17(24-2)19(26-4)18(11-13)25-3/h6-11,21H,5H2,1-4H3,(H,22,23)
InChIKeyDTCJZZHCELCGHX-UHFFFAOYSA-N
XLogP3.44
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83951988
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 3498269
(E)-3-[4-(dimethylcarbamothioyloxy)-3-methoxyphenyl]-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 71767045
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-piperazin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155807360
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 52941734
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(Z)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-phenylprop-2-enoic acid
CID 22681917
(Z)-3-(3-chloro-4-ethoxyphenyl)-2-(3,4-dimethylphenyl)prop-2-enoic acid
CID 83953009
(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
(Z)-2-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid (CID 175352669) is 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid is CCOc1ccc(C=C(C(=O)O)c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The InChIKey is DTCJZZHCELCGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-5-27-16-7-6-12(9-15(16)21)8-14(20(22)23)13-10-17(24-2)19(26-4)18(11-13)25-3/h6-11,21H,5H2,1-4H3,(H,22,23).
What are the key properties of 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid has a molecular weight of 374.39 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 175352669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).