[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene

C18H20O2 — CID 11086763

IUPAC[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene
SMILESC(=C\COCc1ccccc1)\COCc1ccccc1
InChIInChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7-
InChIKeySHOJWWNYFPQUHH-FPLPWBNLSA-N
MW268.36 g/mol
LogP3.98
Rot. Bonds8

About [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene

[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene (PubChem CID 11086763) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene
PubChem CID11086763
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene
SMILESC(=C\COCc1ccccc1)\COCc1ccccc1
InChIInChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7-
InChIKeySHOJWWNYFPQUHH-FPLPWBNLSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene?
The IUPAC name of [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene (CID 11086763) is [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene.
What is the SMILES notation for [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene?
The canonical SMILES for [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene is C(=C\COCc1ccccc1)\COCc1ccccc1.
What is the InChIKey of [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene?
The InChIKey is SHOJWWNYFPQUHH-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7-.
What are the key properties of [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene?
[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene has a molecular weight of 268.36 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene is sourced from PubChem (CID 11086763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).