(E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid

C14H18O5 — CID 86665806

IUPAC(E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid
SMILESCOc1ccc(/C=C/CCC(=O)O)c(OC)c1OC
InChIInChI=1S/C14H18O5/c1-17-11-9-8-10(6-4-5-7-12(15)16)13(18-2)14(11)19-3/h4,6,8-9H,5,7H2,1-3H3,(H,15,16)/b6-4+
InChIKeyCQEAFZAUIRSVIX-GQCTYLIASA-N
MW266.29 g/mol
LogP2.59
Rot. Bonds7

About (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid

(E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid (PubChem CID 86665806) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid
PubChem CID86665806
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid
SMILESCOc1ccc(/C=C/CCC(=O)O)c(OC)c1OC
InChIInChI=1S/C14H18O5/c1-17-11-9-8-10(6-4-5-7-12(15)16)13(18-2)14(11)19-3/h4,6,8-9H,5,7H2,1-3H3,(H,15,16)/b6-4+
InChIKeyCQEAFZAUIRSVIX-GQCTYLIASA-N
XLogP2.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid?
The IUPAC name of (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid (CID 86665806) is (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid?
The canonical SMILES for (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid is COc1ccc(/C=C/CCC(=O)O)c(OC)c1OC.
What is the InChIKey of (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid?
The InChIKey is CQEAFZAUIRSVIX-GQCTYLIASA-N. The full InChI is InChI=1S/C14H18O5/c1-17-11-9-8-10(6-4-5-7-12(15)16)13(18-2)14(11)19-3/h4,6,8-9H,5,7H2,1-3H3,(H,15,16)/b6-4+.
What are the key properties of (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid?
(E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 86665806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).