(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol

C24H22O — CID 155932979

IUPAC(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
SMILESO[C@H](c1ccccc1)[C@H](/C=C\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O/c25-24(22-17-8-3-9-18-22)23(21-15-6-2-7-16-21)19-11-10-14-20-12-4-1-5-13-20/h1-19,23-25H/b14-10+,19-11-/t23-,24-/m1/s1
InChIKeyGBLLXTGPZKNWSG-GONHLQIASA-N
MW326.44 g/mol
LogP5.77
Rot. Bonds6

About (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol

(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol (PubChem CID 155932979) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
PubChem CID155932979
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
SMILESO[C@H](c1ccccc1)[C@H](/C=C\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O/c25-24(22-17-8-3-9-18-22)23(21-15-6-2-7-16-21)19-11-10-14-20-12-4-1-5-13-20/h1-19,23-25H/b14-10+,19-11-/t23-,24-/m1/s1
InChIKeyGBLLXTGPZKNWSG-GONHLQIASA-N
XLogP5.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile
CID 134938938
(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
CID 102074553
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
CID 23428026
(2Z,4E)-1-(3-methylphenyl)-5-phenylpenta-2,4-dien-1-ol
CID 73292123
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol
CID 23263855
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
CID 11087023
CID 11087023
(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal
CID 175262474

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol?
The IUPAC name of (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol (CID 155932979) is (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol.
What is the SMILES notation for (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol?
The canonical SMILES for (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol is O[C@H](c1ccccc1)[C@H](/C=C\C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol?
The InChIKey is GBLLXTGPZKNWSG-GONHLQIASA-N. The full InChI is InChI=1S/C24H22O/c25-24(22-17-8-3-9-18-22)23(21-15-6-2-7-16-21)19-11-10-14-20-12-4-1-5-13-20/h1-19,23-25H/b14-10+,19-11-/t23-,24-/m1/s1.
What are the key properties of (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol?
(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol has a molecular weight of 326.44 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol is sourced from PubChem (CID 155932979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).