(3E,5E)-6-phenylhepta-3,5-dien-1-ol

C13H16O — CID 102108788

IUPAC(3E,5E)-6-phenylhepta-3,5-dien-1-ol
SMILESC/C(=C\C=C\CCO)c1ccccc1
InChIInChI=1S/C13H16O/c1-12(8-4-3-7-11-14)13-9-5-2-6-10-13/h2-6,8-10,14H,7,11H2,1H3/b4-3+,12-8+
InChIKeyDNWRLDHSEZXCNR-ALUKSYHCSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds4

About (3E,5E)-6-phenylhepta-3,5-dien-1-ol

(3E,5E)-6-phenylhepta-3,5-dien-1-ol (PubChem CID 102108788) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (3E,5E)-6-phenylhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5E)-6-phenylhepta-3,5-dien-1-ol
PubChem CID102108788
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(3E,5E)-6-phenylhepta-3,5-dien-1-ol
SMILESC/C(=C\C=C\CCO)c1ccccc1
InChIInChI=1S/C13H16O/c1-12(8-4-3-7-11-14)13-9-5-2-6-10-13/h2-6,8-10,14H,7,11H2,1H3/b4-3+,12-8+
InChIKeyDNWRLDHSEZXCNR-ALUKSYHCSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-phenylhepta-3,5-dien-1-ol?
The IUPAC name of (3E,5E)-6-phenylhepta-3,5-dien-1-ol (CID 102108788) is (3E,5E)-6-phenylhepta-3,5-dien-1-ol.
What is the SMILES notation for (3E,5E)-6-phenylhepta-3,5-dien-1-ol?
The canonical SMILES for (3E,5E)-6-phenylhepta-3,5-dien-1-ol is C/C(=C\C=C\CCO)c1ccccc1.
What is the InChIKey of (3E,5E)-6-phenylhepta-3,5-dien-1-ol?
The InChIKey is DNWRLDHSEZXCNR-ALUKSYHCSA-N. The full InChI is InChI=1S/C13H16O/c1-12(8-4-3-7-11-14)13-9-5-2-6-10-13/h2-6,8-10,14H,7,11H2,1H3/b4-3+,12-8+.
What are the key properties of (3E,5E)-6-phenylhepta-3,5-dien-1-ol?
(3E,5E)-6-phenylhepta-3,5-dien-1-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 (3E,5E)-6-phenylhepta-3,5-dien-1-ol is sourced from PubChem (CID 102108788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).