2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane

C16H20O3 — CID 44519885

IUPAC2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane
SMILESCOc1ccc(C=C=CCOC2CCCCO2)cc1
InChIInChI=1S/C16H20O3/c1-17-15-10-8-14(9-11-15)6-2-4-12-18-16-7-3-5-13-19-16/h4,6,8-11,16H,3,5,7,12-13H2,1H3
InChIKeyFFYJHIBPEMFNNV-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane

2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane (PubChem CID 44519885) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane
PubChem CID44519885
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane
SMILESCOc1ccc(C=C=CCOC2CCCCO2)cc1
InChIInChI=1S/C16H20O3/c1-17-15-10-8-14(9-11-15)6-2-4-12-18-16-7-3-5-13-19-16/h4,6,8-11,16H,3,5,7,12-13H2,1H3
InChIKeyFFYJHIBPEMFNNV-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethenoxy]oxane
CID 70261442
2-[2-(4-methoxyphenyl)prop-2-enoxy]oxane
CID 11265153
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane
CID 135021591
2-(4-methoxyphenoxy)oxolane
CID 135060561
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
1-(4-methoxyphenyl)-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
CID 140553290
4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile
CID 11356947
5-(chloromethyl)-2-(4-methoxyphenyl)-4-(oxan-2-yloxymethyl)-4,5-dihydro-1,3-oxazole
CID 89229508
methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate
CID 10992130
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane?
The IUPAC name of 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane (CID 44519885) is 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane?
The canonical SMILES for 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane is COc1ccc(C=C=CCOC2CCCCO2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane?
The InChIKey is FFYJHIBPEMFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-17-15-10-8-14(9-11-15)6-2-4-12-18-16-7-3-5-13-19-16/h4,6,8-11,16H,3,5,7,12-13H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane?
2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane has a molecular weight of 260.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane is sourced from PubChem (CID 44519885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).