2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid

C18H18O4 — CID 22987085

IUPAC2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(-c2ccc(OC)cc2)c(OCC)c1
InChIInChI=1S/C18H18O4/c1-4-22-17-11-14(12(2)18(19)20)7-10-16(17)13-5-8-15(21-3)9-6-13/h5-11H,2,4H2,1,3H3,(H,19,20)
InChIKeyUCSJVDHJTGAIGU-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.86
Rot. Bonds6

About 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid

2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid (PubChem CID 22987085) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
PubChem CID22987085
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(-c2ccc(OC)cc2)c(OCC)c1
InChIInChI=1S/C18H18O4/c1-4-22-17-11-14(12(2)18(19)20)7-10-16(17)13-5-8-15(21-3)9-6-13/h5-11H,2,4H2,1,3H3,(H,19,20)
InChIKeyUCSJVDHJTGAIGU-UHFFFAOYSA-N
XLogP3.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
(E)-3-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 22987086
2-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602112
4-[4-(4-carboxyphenyl)-2,5-diethoxyphenyl]benzoic acid
CID 122385640
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
[2-(4-methoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 134244888
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
2,4-diethoxy-1-phenylbenzene
CID 132889855
2-[4-[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602790
2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 20987349
hexyl 3-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoate
CID 90727035
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The IUPAC name of 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid (CID 22987085) is 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid is C=C(C(=O)O)c1ccc(-c2ccc(OC)cc2)c(OCC)c1.
What is the InChIKey of 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The InChIKey is UCSJVDHJTGAIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-4-22-17-11-14(12(2)18(19)20)7-10-16(17)13-5-8-15(21-3)9-6-13/h5-11H,2,4H2,1,3H3,(H,19,20).
What are the key properties of 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 22987085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).