4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol

C28H30O2 — CID 167252796

IUPAC4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2ccc(Oc3ccc4ccccc4c3C(C)(C)C)cc12
InChIInChI=1S/C28H30O2/c1-27(2,3)24-16-20(29)15-19-11-13-21(17-23(19)24)30-25-14-12-18-9-7-8-10-22(18)26(25)28(4,5)6/h7-17,29H,1-6H3
InChIKeyMKVCNNFICBMIMN-UHFFFAOYSA-N
MW398.55 g/mol
LogP8.09
Rot. Bonds2

About 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol

4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol (PubChem CID 167252796) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol
PubChem CID167252796
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Name4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2ccc(Oc3ccc4ccccc4c3C(C)(C)C)cc12
InChIInChI=1S/C28H30O2/c1-27(2,3)24-16-20(29)15-19-11-13-21(17-23(19)24)30-25-14-12-18-9-7-8-10-22(18)26(25)28(4,5)6/h7-17,29H,1-6H3
InChIKeyMKVCNNFICBMIMN-UHFFFAOYSA-N
XLogP8.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol?
The IUPAC name of 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol (CID 167252796) is 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol.
What is the SMILES notation for 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol?
The canonical SMILES for 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol is CC(C)(C)c1cc(O)cc2ccc(Oc3ccc4ccccc4c3C(C)(C)C)cc12.
What is the InChIKey of 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol?
The InChIKey is MKVCNNFICBMIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O2/c1-27(2,3)24-16-20(29)15-19-11-13-21(17-23(19)24)30-25-14-12-18-9-7-8-10-22(18)26(25)28(4,5)6/h7-17,29H,1-6H3.
What are the key properties of 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol?
4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol has a molecular weight of 398.55 g/mol, XLogP of 8.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(1-tert-butylnaphthalen-2-yl)oxynaphthalen-2-ol is sourced from PubChem (CID 167252796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).