[2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene

C20H18O3 — CID 87354835

IUPAC[2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene
SMILESc1ccc(OC2=C(OC3=C(Oc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C20H18O3/c1-3-7-15(8-4-1)21-17-11-13-19(17)23-20-14-12-18(20)22-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyWHKMNZCGQXPMGN-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.17
Rot. Bonds6

About [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene

[2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene (PubChem CID 87354835) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene.

Molecular Properties

Compound Name[2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene
PubChem CID87354835
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name[2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene
SMILESc1ccc(OC2=C(OC3=C(Oc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C20H18O3/c1-3-7-15(8-4-1)21-17-11-13-19(17)23-20-14-12-18(20)22-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyWHKMNZCGQXPMGN-UHFFFAOYSA-N
XLogP5.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene?
The IUPAC name of [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene (CID 87354835) is [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene.
What is the SMILES notation for [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene?
The canonical SMILES for [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene is c1ccc(OC2=C(OC3=C(Oc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene?
The InChIKey is WHKMNZCGQXPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-3-7-15(8-4-1)21-17-11-13-19(17)23-20-14-12-18(20)22-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene?
[2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene has a molecular weight of 306.36 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenoxycyclobuten-1-yl)oxycyclobuten-1-yl]oxybenzene is sourced from PubChem (CID 87354835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).