[2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene

C23H28O2 — CID 10497115

IUPAC[2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene
SMILESC=CCC(CC=C)(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C23H28O2/c1-3-15-23(16-4-2,19-24-17-21-11-7-5-8-12-21)20-25-18-22-13-9-6-10-14-22/h3-14H,1-2,15-20H2
InChIKeyHMKJPRZPEXUYTF-UHFFFAOYSA-N
MW336.47 g/mol
LogP5.56
Rot. Bonds12

About [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene

[2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene (PubChem CID 10497115) has the molecular formula C23H28O2 and a molecular weight of 336.47 g/mol. Its IUPAC name is [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene.

Molecular Properties

Compound Name[2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene
PubChem CID10497115
Molecular FormulaC23H28O2
Molecular Weight336.47 g/mol
Exact Mass336.21
IUPAC Name[2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene
SMILESC=CCC(CC=C)(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C23H28O2/c1-3-15-23(16-4-2,19-24-17-21-11-7-5-8-12-21)20-25-18-22-13-9-6-10-14-22/h3-14H,1-2,15-20H2
InChIKeyHMKJPRZPEXUYTF-UHFFFAOYSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 55.56
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

Benzyl Cinnamate
CID 5273469
Dibenzyl ether
CID 7657
Benzyl ethyl ether
CID 10873
2-Propenoic acid, 3-phenyl-, phenylmethyl ester
CID 7652
Benzyl alcohol, cinnamate
CID 15558051
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
Allyl benzyl ether
CID 84542
Benzyl octyl ether
CID 347508
Benzyl pivalate
CID 74977
Bis(1-phenylethyl) ether
CID 62342
Dibenzyl adipate
CID 75561

Frequently Asked Questions

What is the IUPAC name of [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene?
The IUPAC name of [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene (CID 10497115) is [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene.
What is the SMILES notation for [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene?
The canonical SMILES for [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene is C=CCC(CC=C)(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene?
The InChIKey is HMKJPRZPEXUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-3-15-23(16-4-2,19-24-17-21-11-7-5-8-12-21)20-25-18-22-13-9-6-10-14-22/h3-14H,1-2,15-20H2.
What are the key properties of [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene?
[2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene has a molecular weight of 336.47 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene is sourced from PubChem (CID 10497115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).