(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid

C14H18O4 — CID 67666661

IUPAC(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid
SMILESCC/C(=C\Cc1c(OC)cccc1OC)C(=O)O
InChIInChI=1S/C14H18O4/c1-4-10(14(15)16)8-9-11-12(17-2)6-5-7-13(11)18-3/h5-8H,4,9H2,1-3H3,(H,15,16)/b10-8+
InChIKeyKJGGVLQXQSMCOW-CSKARUKUSA-N
MW250.29 g/mol
LogP2.67
Rot. Bonds6

About (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid

(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid (PubChem CID 67666661) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid
PubChem CID67666661
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid
SMILESCC/C(=C\Cc1c(OC)cccc1OC)C(=O)O
InChIInChI=1S/C14H18O4/c1-4-10(14(15)16)8-9-11-12(17-2)6-5-7-13(11)18-3/h5-8H,4,9H2,1-3H3,(H,15,16)/b10-8+
InChIKeyKJGGVLQXQSMCOW-CSKARUKUSA-N
XLogP2.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.67
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

2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid
CID 67665909
2-ethyl-4-(5-fluoro-2-methoxyphenyl)but-2-enoic acid
CID 67499894
2-ethyl-4-(2-methoxyphenoxy)but-2-enoic acid
CID 77100481
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol
CID 10586794
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
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
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
4-(2,5-dibromo-4-methoxyphenoxy)-2-ethylbut-2-enoic acid
CID 79415643
2-ethyl-4-(2-phenylphenoxy)but-2-enoic acid
CID 77100511

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid?
The IUPAC name of (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid (CID 67666661) is (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid.
What is the SMILES notation for (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid?
The canonical SMILES for (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid is CC/C(=C\Cc1c(OC)cccc1OC)C(=O)O.
What is the InChIKey of (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid?
The InChIKey is KJGGVLQXQSMCOW-CSKARUKUSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-10(14(15)16)8-9-11-12(17-2)6-5-7-13(11)18-3/h5-8H,4,9H2,1-3H3,(H,15,16)/b10-8+.
What are the key properties of (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid?
(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid is sourced from PubChem (CID 67666661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).