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

C17H18O4 — CID 57395404

IUPAC3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
SMILESCOc1ccc(COc2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C17H18O4/c1-20-15-7-4-14(5-8-15)12-21-16-9-2-13(3-10-16)6-11-17(18)19/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)
InChIKeyQXHJAIWJXTWLDT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.29
Rot. Bonds7

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

3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid (PubChem CID 57395404) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
PubChem CID57395404
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
SMILESCOc1ccc(COc2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C17H18O4/c1-20-15-7-4-14(5-8-15)12-21-16-9-2-13(3-10-16)6-11-17(18)19/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)
InChIKeyQXHJAIWJXTWLDT-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid (CID 57395404) is 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid is COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is QXHJAIWJXTWLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-15-7-4-14(5-8-15)12-21-16-9-2-13(3-10-16)6-11-17(18)19/h2-5,7-10H,6,11-12H2,1H3,(H,18,19).
What are the key properties of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid?
3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 57395404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).