1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol

C16H20O — CID 10609419

IUPAC1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol
SMILESOC1(/C=C/C=C/c2ccccc2)CCCCC1
InChIInChI=1S/C16H20O/c17-16(12-6-2-7-13-16)14-8-5-11-15-9-3-1-4-10-15/h1,3-5,8-11,14,17H,2,6-7,12-13H2/b11-5+,14-8+
InChIKeyPUFRWZBAQAKURW-XMGZOKRTSA-N
MW228.34 g/mol
LogP3.95
Rot. Bonds3

About 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol

1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol (PubChem CID 10609419) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol
PubChem CID10609419
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol
SMILESOC1(/C=C/C=C/c2ccccc2)CCCCC1
InChIInChI=1S/C16H20O/c17-16(12-6-2-7-13-16)14-8-5-11-15-9-3-1-4-10-15/h1,3-5,8-11,14,17H,2,6-7,12-13H2/b11-5+,14-8+
InChIKeyPUFRWZBAQAKURW-XMGZOKRTSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.95
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 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol (CID 10609419) is 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol is OC1(/C=C/C=C/c2ccccc2)CCCCC1.
What is the InChIKey of 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol?
The InChIKey is PUFRWZBAQAKURW-XMGZOKRTSA-N. The full InChI is InChI=1S/C16H20O/c17-16(12-6-2-7-13-16)14-8-5-11-15-9-3-1-4-10-15/h1,3-5,8-11,14,17H,2,6-7,12-13H2/b11-5+,14-8+.
What are the key properties of 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol?
1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclohexan-1-ol is sourced from PubChem (CID 10609419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).