(1E,3E)-4-phenylbuta-1,3-dien-1-ol

C10H10O — CID 19017831

IUPAC(1E,3E)-4-phenylbuta-1,3-dien-1-ol
SMILESO/C=C/C=C/c1ccccc1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9,11H/b8-4+,9-5+
InChIKeyIRNRLOWLUNXWBG-KBXRYBNXSA-N
MW146.19 g/mol
LogP2.77
Rot. Bonds2

About (1E,3E)-4-phenylbuta-1,3-dien-1-ol

(1E,3E)-4-phenylbuta-1,3-dien-1-ol (PubChem CID 19017831) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (1E,3E)-4-phenylbuta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3E)-4-phenylbuta-1,3-dien-1-ol
PubChem CID19017831
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(1E,3E)-4-phenylbuta-1,3-dien-1-ol
SMILESO/C=C/C=C/c1ccccc1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9,11H/b8-4+,9-5+
InChIKeyIRNRLOWLUNXWBG-KBXRYBNXSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.77
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 (1E,3E)-4-phenylbuta-1,3-dien-1-ol?
The IUPAC name of (1E,3E)-4-phenylbuta-1,3-dien-1-ol (CID 19017831) is (1E,3E)-4-phenylbuta-1,3-dien-1-ol.
What is the SMILES notation for (1E,3E)-4-phenylbuta-1,3-dien-1-ol?
The canonical SMILES for (1E,3E)-4-phenylbuta-1,3-dien-1-ol is O/C=C/C=C/c1ccccc1.
What is the InChIKey of (1E,3E)-4-phenylbuta-1,3-dien-1-ol?
The InChIKey is IRNRLOWLUNXWBG-KBXRYBNXSA-N. The full InChI is InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9,11H/b8-4+,9-5+.
What are the key properties of (1E,3E)-4-phenylbuta-1,3-dien-1-ol?
(1E,3E)-4-phenylbuta-1,3-dien-1-ol has a molecular weight of 146.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-phenylbuta-1,3-dien-1-ol is sourced from PubChem (CID 19017831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).