(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid

C17H22O3 — CID 14347294

IUPAC(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
SMILESCCCCC/C(=C/C=C/C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C17H22O3/c1-3-4-5-7-14(8-6-9-17(18)19)15-10-12-16(20-2)13-11-15/h6,8-13H,3-5,7H2,1-2H3,(H,18,19)/b9-6+,14-8-
InChIKeyFIAGRAQEOUVOSF-XPZLWBDUSA-N
MW274.36 g/mol
LogP4.30
Rot. Bonds8

About (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid

(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid (PubChem CID 14347294) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
PubChem CID14347294
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
SMILESCCCCC/C(=C/C=C/C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C17H22O3/c1-3-4-5-7-14(8-6-9-17(18)19)15-10-12-16(20-2)13-11-15/h6,8-13H,3-5,7H2,1-2H3,(H,18,19)/b9-6+,14-8-
InChIKeyFIAGRAQEOUVOSF-XPZLWBDUSA-N
XLogP4.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)deca-2,4-dienamide
CID 57201086
5-(4-methoxyphenyl)hepta-2,4-dienoic acid
CID 54040855
(2Z,4E)-2-cyano-5-(4-methoxyphenyl)deca-2,4-dienoic acid
CID 139616599
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
CID 4658551
5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide
CID 54039814
1,4-dimethoxybenzene;octan-3-one
CID 174621330
(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide
CID 22155183
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid (CID 14347294) is (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid is CCCCC/C(=C/C=C/C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid?
The InChIKey is FIAGRAQEOUVOSF-XPZLWBDUSA-N. The full InChI is InChI=1S/C17H22O3/c1-3-4-5-7-14(8-6-9-17(18)19)15-10-12-16(20-2)13-11-15/h6,8-13H,3-5,7H2,1-2H3,(H,18,19)/b9-6+,14-8-.
What are the key properties of (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid?
(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid has a molecular weight of 274.36 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid is sourced from PubChem (CID 14347294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).