3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid

C19H22O5 — CID 58172991

IUPAC3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22O5/c1-3-23-18(12-19(20)21)15-7-9-16(10-8-15)24-13-14-5-4-6-17(11-14)22-2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyFVZWSJSCDHOWMM-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.83
Rot. Bonds9

About 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid

3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid (PubChem CID 58172991) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid
PubChem CID58172991
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22O5/c1-3-23-18(12-19(20)21)15-7-9-16(10-8-15)24-13-14-5-4-6-17(11-14)22-2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyFVZWSJSCDHOWMM-UHFFFAOYSA-N
XLogP3.83
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid (CID 58172991) is 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid is CCOC(CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1.
What is the InChIKey of 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is FVZWSJSCDHOWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-3-23-18(12-19(20)21)15-7-9-16(10-8-15)24-13-14-5-4-6-17(11-14)22-2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid?
3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 58172991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).