[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene

C19H22O2 — CID 146540878

IUPAC[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene
SMILESC/C=C/C(Oc1ccccc1)C(C)OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-3-10-19(21-18-13-8-5-9-14-18)16(2)20-15-17-11-6-4-7-12-17/h3-14,16,19H,15H2,1-2H3/b10-3+
InChIKeyKNVICVUPCHDYQX-XCVCLJGOSA-N
MW282.38 g/mol
LogP4.62
Rot. Bonds7

About [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene

[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene (PubChem CID 146540878) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene
PubChem CID146540878
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene
SMILESC/C=C/C(Oc1ccccc1)C(C)OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-3-10-19(21-18-13-8-5-9-14-18)16(2)20-15-17-11-6-4-7-12-17/h3-14,16,19H,15H2,1-2H3/b10-3+
InChIKeyKNVICVUPCHDYQX-XCVCLJGOSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147
(2S,3S,4S)-3-phenoxy-4-phenylmethoxy-2-propoxypentan-1-ol
CID 121458349
[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
[(2R,3S)-3-butoxybutan-2-yl]oxymethylbenzene
CID 57055398
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
[(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene
CID 121458285
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
2-amino-3-phenylmethoxybutan-1-ol;methane
CID 162219428
(3S,4S)-4-phenylmethoxypent-1-yn-3-amine
CID 130942712

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene?
The IUPAC name of [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene (CID 146540878) is [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene.
What is the SMILES notation for [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene?
The canonical SMILES for [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene is C/C=C/C(Oc1ccccc1)C(C)OCc1ccccc1.
What is the InChIKey of [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene?
The InChIKey is KNVICVUPCHDYQX-XCVCLJGOSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-10-19(21-18-13-8-5-9-14-18)16(2)20-15-17-11-6-4-7-12-17/h3-14,16,19H,15H2,1-2H3/b10-3+.
What are the key properties of [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene?
[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene has a molecular weight of 282.38 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene is sourced from PubChem (CID 146540878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).