2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid

C15H20O4 — CID 67665909

IUPAC2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid
SMILESCCCC(=CCc1c(OC)cccc1OC)C(=O)O
InChIInChI=1S/C15H20O4/c1-4-6-11(15(16)17)9-10-12-13(18-2)7-5-8-14(12)19-3/h5,7-9H,4,6,10H2,1-3H3,(H,16,17)
InChIKeyIDBPVIPTYAWGSH-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.06
Rot. Bonds7

About 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid

2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid (PubChem CID 67665909) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid.

Molecular Properties

Compound Name2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid
PubChem CID67665909
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid
SMILESCCCC(=CCc1c(OC)cccc1OC)C(=O)O
InChIInChI=1S/C15H20O4/c1-4-6-11(15(16)17)9-10-12-13(18-2)7-5-8-14(12)19-3/h5,7-9H,4,6,10H2,1-3H3,(H,16,17)
InChIKeyIDBPVIPTYAWGSH-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid
CID 67666661
(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol
CID 10586794
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
2-ethyl-4-(5-fluoro-2-methoxyphenyl)but-2-enoic acid
CID 67499894
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
(Z)-2-[2-(2-fluoro-3-methoxyphenyl)ethyl]but-2-enoic acid
CID 174954206
2-ethyl-4-(2-methoxyphenoxy)but-2-enoic acid
CID 77100481
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
[(E)-3-(2,6-dimethoxyphenyl)prop-1-enyl] acetate
CID 135001864
2-butyl-1,3-dimethoxybenzene
CID 524840
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid?
The IUPAC name of 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid (CID 67665909) is 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid.
What is the SMILES notation for 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid?
The canonical SMILES for 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid is CCCC(=CCc1c(OC)cccc1OC)C(=O)O.
What is the InChIKey of 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid?
The InChIKey is IDBPVIPTYAWGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-6-11(15(16)17)9-10-12-13(18-2)7-5-8-14(12)19-3/h5,7-9H,4,6,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid?
2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid is sourced from PubChem (CID 67665909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).