(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid

C15H20O4 — CID 83950039

IUPAC(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid
SMILESCCOc1cccc(/C(=C/C(=O)O)CC)c1OCC
InChIInChI=1S/C15H20O4/c1-4-11(10-14(16)17)12-8-7-9-13(18-5-2)15(12)19-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)/b11-10+
InChIKeyVTOPLYYWFCOYPD-ZHACJKMWSA-N
MW264.32 g/mol
LogP3.36
Rot. Bonds7

About (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid

(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid (PubChem CID 83950039) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid
PubChem CID83950039
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid
SMILESCCOc1cccc(/C(=C/C(=O)O)CC)c1OCC
InChIInChI=1S/C15H20O4/c1-4-11(10-14(16)17)12-8-7-9-13(18-5-2)15(12)19-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)/b11-10+
InChIKeyVTOPLYYWFCOYPD-ZHACJKMWSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloro-4,5-diethoxyphenyl)pent-2-enoic acid
CID 83959383
(E)-3-(4,5-diethoxy-2-fluorophenyl)pent-2-enoic acid
CID 83949963
(E)-3-(2,3-dimethylphenyl)pent-2-enoic acid
CID 82076954
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
CID 67458775
CID 22022700
CID 22022700
2,3-diethoxyphenol;diphenylmethanone
CID 159024064
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
3-(1,4-benzodioxin-5-yl)pent-2-enoic acid
CID 57196993
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
3-ethoxy-2-hydroxybenzoic acid
CID 13026922

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid?
The IUPAC name of (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid (CID 83950039) is (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid.
What is the SMILES notation for (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid?
The canonical SMILES for (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid is CCOc1cccc(/C(=C/C(=O)O)CC)c1OCC.
What is the InChIKey of (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid?
The InChIKey is VTOPLYYWFCOYPD-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-11(10-14(16)17)12-8-7-9-13(18-5-2)15(12)19-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)/b11-10+.
What are the key properties of (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid?
(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid is sourced from PubChem (CID 83950039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).