(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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Related Compounds

1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
2-(2,5-dimethoxyphenyl)acetic acid;(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 70284395
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
5-(3-methoxy-4-methylphenyl)pent-4-enoic acid
CID 54082412
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
5-(4-chloro-3-methoxyphenyl)pent-4-enoic acid
CID 171372515
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
(Z)-5-(2-methylphenyl)pent-4-enoic acid
CID 124649897
3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one
CID 73015707

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).