[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene

C26H28O2 — CID 176894783

IUPAC[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene
SMILESC=CCC(COCc1ccccc1)(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O2/c1-2-18-26(25-16-10-5-11-17-25,21-27-19-23-12-6-3-7-13-23)22-28-20-24-14-8-4-9-15-24/h2-17H,1,18-22H2
InChIKeyOWWLTKFOSALFCO-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.93
Rot. Bonds11

About [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene

[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene (PubChem CID 176894783) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene.

Molecular Properties

Compound Name[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene
PubChem CID176894783
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene
SMILESC=CCC(COCc1ccccc1)(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O2/c1-2-18-26(25-16-10-5-11-17-25,21-27-19-23-12-6-3-7-13-23)22-28-20-24-14-8-4-9-15-24/h2-17H,1,18-22H2
InChIKeyOWWLTKFOSALFCO-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.93
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

(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 102246332
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
[2,7,7-tris(phenylmethoxymethyl)-2-prop-2-enyldeca-4,9-diynoxy]methylbenzene
CID 101022149
4-propylhept-1-en-4-ylbenzene
CID 123221616
3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
1-[1-bromo-2-(bromomethyl)-3-phenylmethoxypropan-2-yl]-4-chlorobenzene
CID 102941081
dibenzyl 2-phenyl-2-prop-2-enylpropanedioate
CID 171777576
1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
CID 12066232
[(5E,7E)-2-(phenylmethoxymethyl)-2-prop-2-enylnona-5,7-dienoxy]methylbenzene
CID 101218026
N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine
CID 18407104
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131

Frequently Asked Questions

What is the IUPAC name of [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene?
The IUPAC name of [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene (CID 176894783) is [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene.
What is the SMILES notation for [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene?
The canonical SMILES for [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene is C=CCC(COCc1ccccc1)(COCc1ccccc1)c1ccccc1.
What is the InChIKey of [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene?
The InChIKey is OWWLTKFOSALFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-2-18-26(25-16-10-5-11-17-25,21-27-19-23-12-6-3-7-13-23)22-28-20-24-14-8-4-9-15-24/h2-17H,1,18-22H2.
What are the key properties of [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene?
[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene has a molecular weight of 372.51 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene is sourced from PubChem (CID 176894783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).