[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene

C18H20O2 — CID 14220581

IUPAC[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
SMILESC/C=C/C(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20O2/c1-2-9-18(19-14-16-10-5-3-6-11-16)20-15-17-12-7-4-8-13-17/h2-13,18H,14-15H2,1H3/b9-2+
InChIKeySNOJKACXIYHJBN-XNWCZRBMSA-N
MW268.36 g/mol
LogP4.32
Rot. Bonds7

About [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene

[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene (PubChem CID 14220581) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
PubChem CID14220581
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
SMILESC/C=C/C(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20O2/c1-2-9-18(19-14-16-10-5-3-6-11-16)20-15-17-12-7-4-8-13-17/h2-13,18H,14-15H2,1H3/b9-2+
InChIKeySNOJKACXIYHJBN-XNWCZRBMSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene
CID 146540878
1-chloroethoxymethylbenzene
CID 12510706
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(E)-4-phenylmethoxypent-2-enal
CID 59042461
[1-(13,13-dimethoxy-1-phenylmethoxytridec-2-enoxy)-13,13-dimethoxytridec-2-enoxy]methylbenzene
CID 163287823
S-phenyl (E,2R,3R)-3-hydroxy-2-phenylmethoxyhex-4-enethioate
CID 10471724

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene?
The IUPAC name of [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene (CID 14220581) is [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene is C/C=C/C(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene?
The InChIKey is SNOJKACXIYHJBN-XNWCZRBMSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-9-18(19-14-16-10-5-3-6-11-16)20-15-17-12-7-4-8-13-17/h2-13,18H,14-15H2,1H3/b9-2+.
What are the key properties of [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene?
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene has a molecular weight of 268.36 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylmethoxybut-2-enoxy]methylbenzene is sourced from PubChem (CID 14220581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).