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

C20H22O4 — CID 57391958

IUPAC3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid
SMILESCOc1ccc(COc2ccc(C(CC(=O)O)=C(C)C)cc2)cc1
InChIInChI=1S/C20H22O4/c1-14(2)19(12-20(21)22)16-6-10-18(11-7-16)24-13-15-4-8-17(23-3)9-5-15/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyZPQXICKKNJQGBI-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.54
Rot. Bonds7

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

3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid (PubChem CID 57391958) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid
PubChem CID57391958
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid
SMILESCOc1ccc(COc2ccc(C(CC(=O)O)=C(C)C)cc2)cc1
InChIInChI=1S/C20H22O4/c1-14(2)19(12-20(21)22)16-6-10-18(11-7-16)24-13-15-4-8-17(23-3)9-5-15/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyZPQXICKKNJQGBI-UHFFFAOYSA-N
XLogP4.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.54
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]-4-methylpent-3-enoic acid?
The IUPAC name of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid (CID 57391958) is 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid.
What is the SMILES notation for 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid?
The canonical SMILES for 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid is COc1ccc(COc2ccc(C(CC(=O)O)=C(C)C)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid?
The InChIKey is ZPQXICKKNJQGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-14(2)19(12-20(21)22)16-6-10-18(11-7-16)24-13-15-4-8-17(23-3)9-5-15/h4-11H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid?
3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid has a molecular weight of 326.39 g/mol, XLogP of 4.54, 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]-4-methylpent-3-enoic acid is sourced from PubChem (CID 57391958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).