[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene

C16H14O — CID 13355038

IUPAC[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
SMILESC(=C\Oc1ccccc1)\C=C\c1ccccc1
InChIInChI=1S/C16H14O/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h1-14H/b11-7+,14-8-
InChIKeyMCRPXYUPLSKYPA-IRRVLEPVSA-N
MW222.29 g/mol
LogP4.29
Rot. Bonds4

About [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene

[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene (PubChem CID 13355038) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
PubChem CID13355038
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
SMILESC(=C\Oc1ccccc1)\C=C\c1ccccc1
InChIInChI=1S/C16H14O/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h1-14H/b11-7+,14-8-
InChIKeyMCRPXYUPLSKYPA-IRRVLEPVSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2-phenoxyethenylbenzene;1,2-xylene
CID 174396691
[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
CID 143684378
1-chloro-4-[(E)-2-phenylethenoxy]benzene
CID 101411490
1-chloro-4-[(Z)-2-phenoxyethenyl]benzene
CID 135080417
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
CID 51040868
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
CID 11982546

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene (CID 13355038) is [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene is C(=C\Oc1ccccc1)\C=C\c1ccccc1.
What is the InChIKey of [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene?
The InChIKey is MCRPXYUPLSKYPA-IRRVLEPVSA-N. The full InChI is InChI=1S/C16H14O/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h1-14H/b11-7+,14-8-.
What are the key properties of [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene?
[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene has a molecular weight of 222.29 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene is sourced from PubChem (CID 13355038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).