(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol

C12H12O — CID 173058434

IUPAC(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol
SMILESC=C(/C=C/C=C/O)c1ccccc1
InChIInChI=1S/C12H12O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-10,13H,1H2/b7-5+,10-6+
InChIKeyZNZDCSGJUYOIJH-YLNKAEQOSA-N
MW172.23 g/mol
LogP3.33
Rot. Bonds3

About (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol

(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol (PubChem CID 173058434) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol
PubChem CID173058434
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol
SMILESC=C(/C=C/C=C/O)c1ccccc1
InChIInChI=1S/C12H12O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-10,13H,1H2/b7-5+,10-6+
InChIKeyZNZDCSGJUYOIJH-YLNKAEQOSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3-phenylbuta-1,3-dien-1-amine
CID 118909189
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 143067180
1-[(1E)-3-phenylbuta-1,3-dienyl]pyrazole
CID 135060716
methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium
CID 143963198
N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol
CID 145083028
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
(E)-1,2-diphenylethene-1,2-dithiolate
CID 102075609
1-methyl-2-[(1Z)-3-phenylbuta-1,3-dienyl]pyridin-1-ium
CID 92529986
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol?
The IUPAC name of (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol (CID 173058434) is (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol is C=C(/C=C/C=C/O)c1ccccc1.
What is the InChIKey of (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol?
The InChIKey is ZNZDCSGJUYOIJH-YLNKAEQOSA-N. The full InChI is InChI=1S/C12H12O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-10,13H,1H2/b7-5+,10-6+.
What are the key properties of (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol?
(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol has a molecular weight of 172.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-5-phenylhexa-1,3,5-trien-1-ol is sourced from PubChem (CID 173058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).