[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene

C19H22O2 — CID 10333986

IUPAC[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
SMILESC(=C/COCc1ccccc1)\CCOCc1ccccc1
InChIInChI=1S/C19H22O2/c1-4-10-18(11-5-1)16-20-14-8-3-9-15-21-17-19-12-6-2-7-13-19/h1-8,10-13H,9,14-17H2/b8-3+
InChIKeyXOVUVSORIDKIQU-FPYGCLRLSA-N
MW282.38 g/mol
LogP4.37
Rot. Bonds9

About [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene

[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene (PubChem CID 10333986) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
PubChem CID10333986
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
SMILESC(=C/COCc1ccccc1)\CCOCc1ccccc1
InChIInChI=1S/C19H22O2/c1-4-10-18(11-5-1)16-20-14-8-3-9-15-21-17-19-12-6-2-7-13-19/h1-8,10-13H,9,14-17H2/b8-3+
InChIKeyXOVUVSORIDKIQU-FPYGCLRLSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
5-phenylmethoxypent-3-enal
CID 54324259
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
[(E)-5-phenylmethoxypent-2-enyl] 2-oxobutanoate
CID 23649615
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
CID 163205191
4-phenylmethoxybut-2-enal
CID 56616610
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978

Frequently Asked Questions

What is the IUPAC name of [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene?
The IUPAC name of [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene (CID 10333986) is [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene is C(=C/COCc1ccccc1)\CCOCc1ccccc1.
What is the InChIKey of [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene?
The InChIKey is XOVUVSORIDKIQU-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-10-18(11-5-1)16-20-14-8-3-9-15-21-17-19-12-6-2-7-13-19/h1-8,10-13H,9,14-17H2/b8-3+.
What are the key properties of [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene?
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene has a molecular weight of 282.38 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-phenylmethoxypent-2-enoxy]methylbenzene is sourced from PubChem (CID 10333986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).