7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene

C21H24O2 — CID 126641737

IUPAC7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene
SMILESC=Cc1ccc(COCCCCOC2Cc3ccccc32)cc1
InChIInChI=1S/C21H24O2/c1-2-17-9-11-18(12-10-17)16-22-13-5-6-14-23-21-15-19-7-3-4-8-20(19)21/h2-4,7-12,21H,1,5-6,13-16H2
InChIKeyJVLVNMBPBIOHTA-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.94
Rot. Bonds9

About 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene

7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 126641737) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID126641737
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene
SMILESC=Cc1ccc(COCCCCOC2Cc3ccccc32)cc1
InChIInChI=1S/C21H24O2/c1-2-17-9-11-18(12-10-17)16-22-13-5-6-14-23-21-15-19-7-3-4-8-20(19)21/h2-4,7-12,21H,1,5-6,13-16H2
InChIKeyJVLVNMBPBIOHTA-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene with MolForge

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Related Compounds

7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
[4-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienyloxy)butyl]phenyl] prop-2-enoate
CID 126641752
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
4-[(4-ethenylphenyl)methoxy]butyl-dimethoxysilane
CID 173322451
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
(4-ethenylphenyl)methoxymethylsilane
CID 159198884

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene (CID 126641737) is 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene is C=Cc1ccc(COCCCCOC2Cc3ccccc32)cc1.
What is the InChIKey of 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is JVLVNMBPBIOHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-2-17-9-11-18(12-10-17)16-22-13-5-6-14-23-21-15-19-7-3-4-8-20(19)21/h2-4,7-12,21H,1,5-6,13-16H2.
What are the key properties of 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene?
7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 308.42 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 126641737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).