[(E)-4-phenylbut-2-enoxy]methylbenzene

C17H18O — CID 20826226

IUPAC[(E)-4-phenylbut-2-enoxy]methylbenzene
SMILESC(=C/Cc1ccccc1)\COCc1ccccc1
InChIInChI=1S/C17H18O/c1-3-9-16(10-4-1)11-7-8-14-18-15-17-12-5-2-6-13-17/h1-10,12-13H,11,14-15H2/b8-7+
InChIKeyGTSUMTQATHKFHE-BQYQJAHWSA-N
MW238.33 g/mol
LogP4.00
Rot. Bonds6

About [(E)-4-phenylbut-2-enoxy]methylbenzene

[(E)-4-phenylbut-2-enoxy]methylbenzene (PubChem CID 20826226) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is [(E)-4-phenylbut-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-4-phenylbut-2-enoxy]methylbenzene
PubChem CID20826226
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name[(E)-4-phenylbut-2-enoxy]methylbenzene
SMILESC(=C/Cc1ccccc1)\COCc1ccccc1
InChIInChI=1S/C17H18O/c1-3-9-16(10-4-1)11-7-8-14-18-15-17-12-5-2-6-13-17/h1-10,12-13H,11,14-15H2/b8-7+
InChIKeyGTSUMTQATHKFHE-BQYQJAHWSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
5-phenylmethoxypent-3-enal
CID 54324259
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
O-[(E)-4-phenylbut-2-enyl]hydroxylamine
CID 14647066
4-phenylmethoxybut-2-enal
CID 56616610
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
3-phenylmethoxyprop-1-enylboronic acid
CID 71358172
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921
[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
CID 71527754
(Z)-4-phenylmethoxybut-2-enal;(Z)-4-phenylmethoxybut-2-en-1-ol
CID 165000791

Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenylbut-2-enoxy]methylbenzene?
The IUPAC name of [(E)-4-phenylbut-2-enoxy]methylbenzene (CID 20826226) is [(E)-4-phenylbut-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-4-phenylbut-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-4-phenylbut-2-enoxy]methylbenzene is C(=C/Cc1ccccc1)\COCc1ccccc1.
What is the InChIKey of [(E)-4-phenylbut-2-enoxy]methylbenzene?
The InChIKey is GTSUMTQATHKFHE-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18O/c1-3-9-16(10-4-1)11-7-8-14-18-15-17-12-5-2-6-13-17/h1-10,12-13H,11,14-15H2/b8-7+.
What are the key properties of [(E)-4-phenylbut-2-enoxy]methylbenzene?
[(E)-4-phenylbut-2-enoxy]methylbenzene has a molecular weight of 238.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenylbut-2-enoxy]methylbenzene is sourced from PubChem (CID 20826226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).