(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid

C16H22O4 — CID 10516728

IUPAC(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
SMILESCCCCC/C(=C\C(=O)O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H22O4/c1-4-5-6-7-12(10-16(17)18)14-9-8-13(19-2)11-15(14)20-3/h8-11H,4-7H2,1-3H3,(H,17,18)/b12-10+
InChIKeyNIXIMFJFBTURNG-ZRDIBKRKSA-N
MW278.35 g/mol
LogP3.75
Rot. Bonds8

About (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid

(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid (PubChem CID 10516728) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
PubChem CID10516728
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
SMILESCCCCC/C(=C\C(=O)O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H22O4/c1-4-5-6-7-12(10-16(17)18)14-9-8-13(19-2)11-15(14)20-3/h8-11H,4-7H2,1-3H3,(H,17,18)/b12-10+
InChIKeyNIXIMFJFBTURNG-ZRDIBKRKSA-N
XLogP3.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086
2,4-dimethoxy-1-oct-1-en-2-ylbenzene
CID 101483089
(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine
CID 6534422
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one
CID 10248342
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
CID 14347294
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid (CID 10516728) is (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid is CCCCC/C(=C\C(=O)O)c1ccc(OC)cc1OC.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid?
The InChIKey is NIXIMFJFBTURNG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H22O4/c1-4-5-6-7-12(10-16(17)18)14-9-8-13(19-2)11-15(14)20-3/h8-11H,4-7H2,1-3H3,(H,17,18)/b12-10+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid?
(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid is sourced from PubChem (CID 10516728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).