(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol

C15H16O — CID 142139727

IUPAC(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
SMILESC=C/C=C(\C=C)C(C(=C)O)c1ccccc1
InChIInChI=1S/C15H16O/c1-4-9-13(5-2)15(12(3)16)14-10-7-6-8-11-14/h4-11,15-16H,1-3H2/b13-9+
InChIKeyGQACXSNWNSAPOR-UKTHLTGXSA-N
MW212.29 g/mol
LogP4.14
Rot. Bonds5

About (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol

(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol (PubChem CID 142139727) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol.

Molecular Properties

Compound Name(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
PubChem CID142139727
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
SMILESC=C/C=C(\C=C)C(C(=C)O)c1ccccc1
InChIInChI=1S/C15H16O/c1-4-9-13(5-2)15(12(3)16)14-10-7-6-8-11-14/h4-11,15-16H,1-3H2/b13-9+
InChIKeyGQACXSNWNSAPOR-UKTHLTGXSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
The IUPAC name of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol (CID 142139727) is (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol.
What is the SMILES notation for (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
The canonical SMILES for (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol is C=C/C=C(\C=C)C(C(=C)O)c1ccccc1.
What is the InChIKey of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
The InChIKey is GQACXSNWNSAPOR-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H16O/c1-4-9-13(5-2)15(12(3)16)14-10-7-6-8-11-14/h4-11,15-16H,1-3H2/b13-9+.
What are the key properties of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol has a molecular weight of 212.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol is sourced from PubChem (CID 142139727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).