2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate

C15H16O5 — CID 174381920

IUPAC2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate
SMILESC/C=C/C=C/C(=O)OCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H16O5/c1-2-3-4-5-14(17)19-10-11-20-15(18)12-6-8-13(16)9-7-12/h2-9,16H,10-11H2,1H3/b3-2+,5-4+
InChIKeyYSJOJIJDHWEGNU-MQQKCMAXSA-N
MW276.29 g/mol
LogP2.22
Rot. Bonds6

About 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate

2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate (PubChem CID 174381920) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate
PubChem CID174381920
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate
SMILESC/C=C/C=C/C(=O)OCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H16O5/c1-2-3-4-5-14(17)19-10-11-20-15(18)12-6-8-13(16)9-7-12/h2-9,16H,10-11H2,1H3/b3-2+,5-4+
InChIKeyYSJOJIJDHWEGNU-MQQKCMAXSA-N
XLogP2.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
CID 141413988
2-phenylethyl (4E)-hexa-2,4-dienoate
CID 137320029
propyl 4-hydroxybenzoate
CID 66683808
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
2-propan-2-yloxyethyl 4-hydroxybenzoate
CID 71749586
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
2-(4-bromophenoxy)ethyl (2E,4E)-hexa-2,4-dienoate
CID 55314879

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate?
The IUPAC name of 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate (CID 174381920) is 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate is C/C=C/C=C/C(=O)OCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate?
The InChIKey is YSJOJIJDHWEGNU-MQQKCMAXSA-N. The full InChI is InChI=1S/C15H16O5/c1-2-3-4-5-14(17)19-10-11-20-15(18)12-6-8-13(16)9-7-12/h2-9,16H,10-11H2,1H3/b3-2+,5-4+.
What are the key properties of 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate?
2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate has a molecular weight of 276.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate is sourced from PubChem (CID 174381920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).