(1E,5E)-1-phenylhepta-1,5-dien-4-ol

C13H16O — CID 100975516

IUPAC(1E,5E)-1-phenylhepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12/h2-10,13-14H,11H2,1H3/b7-2+,10-6+
InChIKeyJVJLJVZQRHINDT-FOYBORQGSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds4

About (1E,5E)-1-phenylhepta-1,5-dien-4-ol

(1E,5E)-1-phenylhepta-1,5-dien-4-ol (PubChem CID 100975516) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1E,5E)-1-phenylhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(1E,5E)-1-phenylhepta-1,5-dien-4-ol
PubChem CID100975516
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1E,5E)-1-phenylhepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12/h2-10,13-14H,11H2,1H3/b7-2+,10-6+
InChIKeyJVJLJVZQRHINDT-FOYBORQGSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1-phenylhepta-1,5-dien-4-ol?
The IUPAC name of (1E,5E)-1-phenylhepta-1,5-dien-4-ol (CID 100975516) is (1E,5E)-1-phenylhepta-1,5-dien-4-ol.
What is the SMILES notation for (1E,5E)-1-phenylhepta-1,5-dien-4-ol?
The canonical SMILES for (1E,5E)-1-phenylhepta-1,5-dien-4-ol is C/C=C/C(O)C/C=C/c1ccccc1.
What is the InChIKey of (1E,5E)-1-phenylhepta-1,5-dien-4-ol?
The InChIKey is JVJLJVZQRHINDT-FOYBORQGSA-N. The full InChI is InChI=1S/C13H16O/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12/h2-10,13-14H,11H2,1H3/b7-2+,10-6+.
What are the key properties of (1E,5E)-1-phenylhepta-1,5-dien-4-ol?
(1E,5E)-1-phenylhepta-1,5-dien-4-ol has a molecular weight of 188.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1-phenylhepta-1,5-dien-4-ol is sourced from PubChem (CID 100975516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).