(1-butoxy-4-phenylbuta-1,3-dienyl)benzene

C20H22O — CID 90913634

IUPAC(1-butoxy-4-phenylbuta-1,3-dienyl)benzene
SMILESCCCCOC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-2-3-17-21-20(19-14-8-5-9-15-19)16-10-13-18-11-6-4-7-12-18/h4-16H,2-3,17H2,1H3
InChIKeyNKNPRNPYWLXOPK-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.56
Rot. Bonds7

About (1-butoxy-4-phenylbuta-1,3-dienyl)benzene

(1-butoxy-4-phenylbuta-1,3-dienyl)benzene (PubChem CID 90913634) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is (1-butoxy-4-phenylbuta-1,3-dienyl)benzene.

Molecular Properties

Compound Name(1-butoxy-4-phenylbuta-1,3-dienyl)benzene
PubChem CID90913634
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name(1-butoxy-4-phenylbuta-1,3-dienyl)benzene
SMILESCCCCOC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-2-3-17-21-20(19-14-8-5-9-15-19)16-10-13-18-11-6-4-7-12-18/h4-16H,2-3,17H2,1H3
InChIKeyNKNPRNPYWLXOPK-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3E)-1-butoxy-4-phenylbuta-1,3-dienyl]benzene
CID 87886241
1,4-diphenylbuta-1,3-dienoxybenzene;titanium
CID 87497122
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
octyl 2-cyano-5-phenylpenta-2,4-dienoate
CID 72606542
2-butoxy-1,3-diphenylprop-2-en-1-one
CID 57177461
butyl 4-phenylbut-3-enoate
CID 575894
[1-(2-hexylphenyl)-4-phenylbuta-1,3-dienyl] benzoate
CID 167655153
(111C)butyl benzoate
CID 11994383
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
4-(1,2-diphenylethenoxy)butan-1-amine
CID 57175242

Frequently Asked Questions

What is the IUPAC name of (1-butoxy-4-phenylbuta-1,3-dienyl)benzene?
The IUPAC name of (1-butoxy-4-phenylbuta-1,3-dienyl)benzene (CID 90913634) is (1-butoxy-4-phenylbuta-1,3-dienyl)benzene.
What is the SMILES notation for (1-butoxy-4-phenylbuta-1,3-dienyl)benzene?
The canonical SMILES for (1-butoxy-4-phenylbuta-1,3-dienyl)benzene is CCCCOC(=CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of (1-butoxy-4-phenylbuta-1,3-dienyl)benzene?
The InChIKey is NKNPRNPYWLXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-2-3-17-21-20(19-14-8-5-9-15-19)16-10-13-18-11-6-4-7-12-18/h4-16H,2-3,17H2,1H3.
What are the key properties of (1-butoxy-4-phenylbuta-1,3-dienyl)benzene?
(1-butoxy-4-phenylbuta-1,3-dienyl)benzene has a molecular weight of 278.40 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butoxy-4-phenylbuta-1,3-dienyl)benzene is sourced from PubChem (CID 90913634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).