2-(phenoxymethyl)pent-3-enoxybenzene

C18H20O2 — CID 141070463

IUPAC2-(phenoxymethyl)pent-3-enoxybenzene
SMILESCC=CC(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C18H20O2/c1-2-9-16(14-19-17-10-5-3-6-11-17)15-20-18-12-7-4-8-13-18/h2-13,16H,14-15H2,1H3
InChIKeyCVBBJUMCPWVHIH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.34
Rot. Bonds7

About 2-(phenoxymethyl)pent-3-enoxybenzene

2-(phenoxymethyl)pent-3-enoxybenzene (PubChem CID 141070463) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(phenoxymethyl)pent-3-enoxybenzene.

Molecular Properties

Compound Name2-(phenoxymethyl)pent-3-enoxybenzene
PubChem CID141070463
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-(phenoxymethyl)pent-3-enoxybenzene
SMILESCC=CC(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C18H20O2/c1-2-9-16(14-19-17-10-5-3-6-11-17)15-20-18-12-7-4-8-13-18/h2-13,16H,14-15H2,1H3
InChIKeyCVBBJUMCPWVHIH-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
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)-2-fluoro-5-propyloct-3-enoxy]benzene
CID 143381444
CID 142401703
CID 142401703
but-2-enoxybenzene
CID 564963
(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol
CID 14026776
ethane;1-phenoxypropan-2-ol
CID 90926921
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane
CID 70549768
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
2,3-difluorobutoxybenzene
CID 53412752
1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol
CID 129159331
[(E)-5-ethyl-2-fluoronon-3-enoxy]benzene
CID 143381408

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)pent-3-enoxybenzene?
The IUPAC name of 2-(phenoxymethyl)pent-3-enoxybenzene (CID 141070463) is 2-(phenoxymethyl)pent-3-enoxybenzene.
What is the SMILES notation for 2-(phenoxymethyl)pent-3-enoxybenzene?
The canonical SMILES for 2-(phenoxymethyl)pent-3-enoxybenzene is CC=CC(COc1ccccc1)COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)pent-3-enoxybenzene?
The InChIKey is CVBBJUMCPWVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-9-16(14-19-17-10-5-3-6-11-17)15-20-18-12-7-4-8-13-18/h2-13,16H,14-15H2,1H3.
What are the key properties of 2-(phenoxymethyl)pent-3-enoxybenzene?
2-(phenoxymethyl)pent-3-enoxybenzene has a molecular weight of 268.36 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)pent-3-enoxybenzene is sourced from PubChem (CID 141070463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).