(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid

C12H12O3 — CID 102074553

IUPAC(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
SMILESO=C(O)[C@@H](O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C12H12O3/c13-11(12(14)15)9-5-4-8-10-6-2-1-3-7-10/h1-9,11,13H,(H,14,15)/b8-4+,9-5+/t11-/m0/s1
InChIKeyMJTVCOUXLMLYIJ-KYSBKVBKSA-N
MW204.22 g/mol
LogP1.70
Rot. Bonds4

About (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid

(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid (PubChem CID 102074553) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
PubChem CID102074553
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
SMILESO=C(O)[C@@H](O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C12H12O3/c13-11(12(14)15)9-5-4-8-10-6-2-1-3-7-10/h1-9,11,13H,(H,14,15)/b8-4+,9-5+/t11-/m0/s1
InChIKeyMJTVCOUXLMLYIJ-KYSBKVBKSA-N
XLogP1.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
CID 23428026
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
CID 155932979
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219

Frequently Asked Questions

What is the IUPAC name of (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid?
The IUPAC name of (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid (CID 102074553) is (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid.
What is the SMILES notation for (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid?
The canonical SMILES for (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid is O=C(O)[C@@H](O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid?
The InChIKey is MJTVCOUXLMLYIJ-KYSBKVBKSA-N. The full InChI is InChI=1S/C12H12O3/c13-11(12(14)15)9-5-4-8-10-6-2-1-3-7-10/h1-9,11,13H,(H,14,15)/b8-4+,9-5+/t11-/m0/s1.
What are the key properties of (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid?
(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid has a molecular weight of 204.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid is sourced from PubChem (CID 102074553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).