hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene

C26H36O2 — CID 175128455

IUPAChexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene
SMILESCCC(=Cc1ccccc1)OC(=Cc1ccccc1)CC.CCCCCCO
InChIInChI=1S/C20H22O.C6H14O/c1-3-19(15-17-11-7-5-8-12-17)21-20(4-2)16-18-13-9-6-10-14-18;1-2-3-4-5-6-7/h5-16H,3-4H2,1-2H3;7H,2-6H2,1H3
InChIKeyWLHGAKWSCFXSQF-UHFFFAOYSA-N
MW380.57 g/mol
LogP7.46
Rot. Bonds10

About hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene

hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene (PubChem CID 175128455) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene.

Molecular Properties

Compound Namehexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene
PubChem CID175128455
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Namehexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene
SMILESCCC(=Cc1ccccc1)OC(=Cc1ccccc1)CC.CCCCCCO
InChIInChI=1S/C20H22O.C6H14O/c1-3-19(15-17-11-7-5-8-12-17)21-20(4-2)16-18-13-9-6-10-14-18;1-2-3-4-5-6-7/h5-16H,3-4H2,1-2H3;7H,2-6H2,1H3
InChIKeyWLHGAKWSCFXSQF-UHFFFAOYSA-N
XLogP7.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-phenoxyethanol;tetradecan-1-ol
CID 118450850
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
1-phenylbut-1-en-2-yl 2-methylprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene?
The IUPAC name of hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene (CID 175128455) is hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene.
What is the SMILES notation for hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene?
The canonical SMILES for hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene is CCC(=Cc1ccccc1)OC(=Cc1ccccc1)CC.CCCCCCO.
What is the InChIKey of hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene?
The InChIKey is WLHGAKWSCFXSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O.C6H14O/c1-3-19(15-17-11-7-5-8-12-17)21-20(4-2)16-18-13-9-6-10-14-18;1-2-3-4-5-6-7/h5-16H,3-4H2,1-2H3;7H,2-6H2,1H3.
What are the key properties of hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene?
hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene has a molecular weight of 380.57 g/mol, XLogP of 7.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene is sourced from PubChem (CID 175128455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).