3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid

C19H20O4 — CID 57391957

IUPAC3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid
SMILESC=CC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O4/c1-3-15(12-19(20)21)16-6-10-18(11-7-16)23-13-14-4-8-17(22-2)9-5-14/h3-11,15H,1,12-13H2,2H3,(H,20,21)
InChIKeyJOXBBRNZEQLISN-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.02
Rot. Bonds8

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

3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid (PubChem CID 57391957) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid
PubChem CID57391957
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid
SMILESC=CC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O4/c1-3-15(12-19(20)21)16-6-10-18(11-7-16)23-13-14-4-8-17(22-2)9-5-14/h3-11,15H,1,12-13H2,2H3,(H,20,21)
InChIKeyJOXBBRNZEQLISN-UHFFFAOYSA-N
XLogP4.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid?
The IUPAC name of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid (CID 57391957) is 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid.
What is the SMILES notation for 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid?
The canonical SMILES for 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid is C=CC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid?
The InChIKey is JOXBBRNZEQLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-15(12-19(20)21)16-6-10-18(11-7-16)23-13-14-4-8-17(22-2)9-5-14/h3-11,15H,1,12-13H2,2H3,(H,20,21).
What are the key properties of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid?
3-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.02, 8 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]pent-4-enoic acid is sourced from PubChem (CID 57391957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).