(4E,6E)-7-phenylhepta-4,6-dien-1-ol

C13H16O — CID 134982496

IUPAC(4E,6E)-7-phenylhepta-4,6-dien-1-ol
SMILESOCCC/C=C/C=C/c1ccccc1
InChIInChI=1S/C13H16O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-2,4-7,9-11,14H,3,8,12H2/b2-1+,9-5+
InChIKeyDZJBXIYZMCEGPJ-RPFQBYKKSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds5

About (4E,6E)-7-phenylhepta-4,6-dien-1-ol

(4E,6E)-7-phenylhepta-4,6-dien-1-ol (PubChem CID 134982496) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (4E,6E)-7-phenylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E,6E)-7-phenylhepta-4,6-dien-1-ol
PubChem CID134982496
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(4E,6E)-7-phenylhepta-4,6-dien-1-ol
SMILESOCCC/C=C/C=C/c1ccccc1
InChIInChI=1S/C13H16O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-2,4-7,9-11,14H,3,8,12H2/b2-1+,9-5+
InChIKeyDZJBXIYZMCEGPJ-RPFQBYKKSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,11-diphenylundeca-1,3,8,10-tetraen-6-one
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4-phenylbuta-1,3-dienylbenzene
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[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1E,3E,9E)-10-nitrodeca-1,3,9-trienyl]benzene
CID 101044529
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
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CID 172553874

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-7-phenylhepta-4,6-dien-1-ol?
The IUPAC name of (4E,6E)-7-phenylhepta-4,6-dien-1-ol (CID 134982496) is (4E,6E)-7-phenylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4E,6E)-7-phenylhepta-4,6-dien-1-ol?
The canonical SMILES for (4E,6E)-7-phenylhepta-4,6-dien-1-ol is OCCC/C=C/C=C/c1ccccc1.
What is the InChIKey of (4E,6E)-7-phenylhepta-4,6-dien-1-ol?
The InChIKey is DZJBXIYZMCEGPJ-RPFQBYKKSA-N. The full InChI is InChI=1S/C13H16O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-2,4-7,9-11,14H,3,8,12H2/b2-1+,9-5+.
What are the key properties of (4E,6E)-7-phenylhepta-4,6-dien-1-ol?
(4E,6E)-7-phenylhepta-4,6-dien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-phenylhepta-4,6-dien-1-ol is sourced from PubChem (CID 134982496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).