(2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid

C11H10O4 — CID 170990383

IUPAC(2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C\c1cc(O)cc(O)c1
InChIInChI=1S/C11H10O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h1-7,12-13H,(H,14,15)/b3-1-,4-2+
InChIKeyXHUWKYOSLGQGIH-HSFFGMMNSA-N
MW206.20 g/mol
LogP1.75
Rot. Bonds3

About (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid

(2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid (PubChem CID 170990383) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid
PubChem CID170990383
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name(2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C\c1cc(O)cc(O)c1
InChIInChI=1S/C11H10O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h1-7,12-13H,(H,14,15)/b3-1-,4-2+
InChIKeyXHUWKYOSLGQGIH-HSFFGMMNSA-N
XLogP1.75
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
CID 91104661
(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoic acid
CID 15257506
3-(3,5-dihydroxyphenyl)prop-2-enal
CID 54245519
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
(E)-3-(3-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 22928735
5-(4-bromophenyl)penta-2,4-dienoic acid
CID 582037
4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
CID 86612192
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 25189638
5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)penta-2,4-dienoic acid
CID 86034884

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid (CID 170990383) is (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid is O=C(O)/C=C/C=C\c1cc(O)cc(O)c1.
What is the InChIKey of (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid?
The InChIKey is XHUWKYOSLGQGIH-HSFFGMMNSA-N. The full InChI is InChI=1S/C11H10O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h1-7,12-13H,(H,14,15)/b3-1-,4-2+.
What are the key properties of (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid?
(2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 170990383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).