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

C19H22O4 — CID 90644303

IUPAC3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-7-9-17(10-8-16)23-13-15-6-4-5-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyPMWLRBOJRSICTR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.13
Rot. Bonds8

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

3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid (PubChem CID 90644303) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
PubChem CID90644303
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-7-9-17(10-8-16)23-13-15-6-4-5-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyPMWLRBOJRSICTR-UHFFFAOYSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid (CID 90644303) is 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid is CCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1.
What is the InChIKey of 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is PMWLRBOJRSICTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-7-9-17(10-8-16)23-13-15-6-4-5-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid?
3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 90644303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).