5-(4-ethoxyphenyl)pent-4-enoic acid

C13H16O3 — CID 54525695

IUPAC5-(4-ethoxyphenyl)pent-4-enoic acid
SMILESCCOc1ccc(C=CCCC(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-2-16-12-9-7-11(8-10-12)5-3-4-6-13(14)15/h3,5,7-10H,2,4,6H2,1H3,(H,14,15)
InChIKeyYSYMUSPSGROGMD-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.96
Rot. Bonds6

About 5-(4-ethoxyphenyl)pent-4-enoic acid

5-(4-ethoxyphenyl)pent-4-enoic acid (PubChem CID 54525695) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)pent-4-enoic acid
PubChem CID54525695
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name5-(4-ethoxyphenyl)pent-4-enoic acid
SMILESCCOc1ccc(C=CCCC(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-2-16-12-9-7-11(8-10-12)5-3-4-6-13(14)15/h3,5,7-10H,2,4,6H2,1H3,(H,14,15)
InChIKeyYSYMUSPSGROGMD-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
(E)-5-phenylpent-4-enoic acid
CID 5370650
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61007958
4-[3-(4-ethoxyphenyl)prop-2-enoylamino]butanoic acid
CID 74868297
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
2-[4-(4-acetylsulfanylbut-1-enyl)phenoxy]acetic acid
CID 170480704
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-methylamino]acetic acid
CID 43092174

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)pent-4-enoic acid?
The IUPAC name of 5-(4-ethoxyphenyl)pent-4-enoic acid (CID 54525695) is 5-(4-ethoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)pent-4-enoic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)pent-4-enoic acid is CCOc1ccc(C=CCCC(=O)O)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)pent-4-enoic acid?
The InChIKey is YSYMUSPSGROGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-16-12-9-7-11(8-10-12)5-3-4-6-13(14)15/h3,5,7-10H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 5-(4-ethoxyphenyl)pent-4-enoic acid?
5-(4-ethoxyphenyl)pent-4-enoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 54525695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).