(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid

C13H14O3 — CID 23428026

IUPAC(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
SMILESO=C(O)CC(O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C13H14O3/c14-12(10-13(15)16)9-5-4-8-11-6-2-1-3-7-11/h1-9,12,14H,10H2,(H,15,16)/b8-4+,9-5+
InChIKeyOSPMYBMOVIBYNI-KBXRYBNXSA-N
MW218.25 g/mol
LogP2.09
Rot. Bonds5

About (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid

(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid (PubChem CID 23428026) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid.

Molecular Properties

Compound Name(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
PubChem CID23428026
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
SMILESO=C(O)CC(O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C13H14O3/c14-12(10-13(15)16)9-5-4-8-11-6-2-1-3-7-11/h1-9,12,14H,10H2,(H,15,16)/b8-4+,9-5+
InChIKeyOSPMYBMOVIBYNI-KBXRYBNXSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.09
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

(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
CID 102074553
(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
CID 5324474
2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
CID 155932979
(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid
CID 22261798
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(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,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid?
The IUPAC name of (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid (CID 23428026) is (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid.
What is the SMILES notation for (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid?
The canonical SMILES for (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid is O=C(O)CC(O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid?
The InChIKey is OSPMYBMOVIBYNI-KBXRYBNXSA-N. The full InChI is InChI=1S/C13H14O3/c14-12(10-13(15)16)9-5-4-8-11-6-2-1-3-7-11/h1-9,12,14H,10H2,(H,15,16)/b8-4+,9-5+.
What are the key properties of (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid?
(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid has a molecular weight of 218.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid is sourced from PubChem (CID 23428026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).