7-phenylhepta-2,4-dien-1-ol

C13H16O — CID 123622539

IUPAC7-phenylhepta-2,4-dien-1-ol
SMILESOCC=CC=CCCc1ccccc1
InChIInChI=1S/C13H16O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-4,6-8,10-11,14H,5,9,12H2
InChIKeyRBMMUAAVKZACDH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.72
Rot. Bonds5

About 7-phenylhepta-2,4-dien-1-ol

7-phenylhepta-2,4-dien-1-ol (PubChem CID 123622539) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-phenylhepta-2,4-dien-1-ol.

Molecular Properties

Compound Name7-phenylhepta-2,4-dien-1-ol
PubChem CID123622539
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name7-phenylhepta-2,4-dien-1-ol
SMILESOCC=CC=CCCc1ccccc1
InChIInChI=1S/C13H16O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-4,6-8,10-11,14H,5,9,12H2
InChIKeyRBMMUAAVKZACDH-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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pent-3-enylbenzene
CID 519421
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
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[(E)-5-chloropent-3-enyl]benzene
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[(E)-5-cyclohexylidenepent-3-enyl]benzene
CID 101127606
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
7-phenyl-N-propylhepta-2,4-dienamide
CID 123644978
4,4,5,5-tetramethyl-2-[(1E,3E)-6-phenylhexa-1,3-dienyl]-1,3,2-dioxaborolane
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Frequently Asked Questions

What is the IUPAC name of 7-phenylhepta-2,4-dien-1-ol?
The IUPAC name of 7-phenylhepta-2,4-dien-1-ol (CID 123622539) is 7-phenylhepta-2,4-dien-1-ol.
What is the SMILES notation for 7-phenylhepta-2,4-dien-1-ol?
The canonical SMILES for 7-phenylhepta-2,4-dien-1-ol is OCC=CC=CCCc1ccccc1.
What is the InChIKey of 7-phenylhepta-2,4-dien-1-ol?
The InChIKey is RBMMUAAVKZACDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-4,6-8,10-11,14H,5,9,12H2.
What are the key properties of 7-phenylhepta-2,4-dien-1-ol?
7-phenylhepta-2,4-dien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylhepta-2,4-dien-1-ol is sourced from PubChem (CID 123622539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).