2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene

C31H34O2 — CID 71073490

IUPAC2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene
SMILESCCC(C)c1ccc2cc(OC3CCC(OCc4cccc5ccccc45)CC3)ccc2c1
InChIInChI=1S/C31H34O2/c1-3-22(2)24-11-12-26-20-30(14-13-25(26)19-24)33-29-17-15-28(16-18-29)32-21-27-9-6-8-23-7-4-5-10-31(23)27/h4-14,19-20,22,28-29H,3,15-18,21H2,1-2H3
InChIKeySHFRTKUDKJTRJD-UHFFFAOYSA-N
MW438.61 g/mol
LogP8.41
Rot. Bonds7

About 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene

2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene (PubChem CID 71073490) has the molecular formula C31H34O2 and a molecular weight of 438.61 g/mol. Its IUPAC name is 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene.

Molecular Properties

Compound Name2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene
PubChem CID71073490
Molecular FormulaC31H34O2
Molecular Weight438.61 g/mol
Exact Mass438.26
IUPAC Name2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene
SMILESCCC(C)c1ccc2cc(OC3CCC(OCc4cccc5ccccc45)CC3)ccc2c1
InChIInChI=1S/C31H34O2/c1-3-22(2)24-11-12-26-20-30(14-13-25(26)19-24)33-29-17-15-28(16-18-29)32-21-27-9-6-8-23-7-4-5-10-31(23)27/h4-14,19-20,22,28-29H,3,15-18,21H2,1-2H3
InChIKeySHFRTKUDKJTRJD-UHFFFAOYSA-N
XLogP8.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene?
The IUPAC name of 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene (CID 71073490) is 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene.
What is the SMILES notation for 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene?
The canonical SMILES for 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene is CCC(C)c1ccc2cc(OC3CCC(OCc4cccc5ccccc45)CC3)ccc2c1.
What is the InChIKey of 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene?
The InChIKey is SHFRTKUDKJTRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34O2/c1-3-22(2)24-11-12-26-20-30(14-13-25(26)19-24)33-29-17-15-28(16-18-29)32-21-27-9-6-8-23-7-4-5-10-31(23)27/h4-14,19-20,22,28-29H,3,15-18,21H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene?
2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene has a molecular weight of 438.61 g/mol, XLogP of 8.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-[4-(naphthalen-1-ylmethoxy)cyclohexyl]oxynaphthalene is sourced from PubChem (CID 71073490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).