4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol

C28H26O2 — CID 59746012

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)Cc3cccc4cccc2c34)cc(C)c1O
InChIInChI=1S/C28H26O2/c1-16-11-22(12-17(2)26(16)29)28(23-13-18(3)27(30)19(4)14-23)15-21-9-5-7-20-8-6-10-24(28)25(20)21/h5-14,29-30H,15H2,1-4H3
InChIKeyFVOGTDMEEYRUBQ-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.38
Rot. Bonds2

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol (PubChem CID 59746012) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol
PubChem CID59746012
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)Cc3cccc4cccc2c34)cc(C)c1O
InChIInChI=1S/C28H26O2/c1-16-11-22(12-17(2)26(16)29)28(23-13-18(3)27(30)19(4)14-23)15-21-9-5-7-20-8-6-10-24(28)25(20)21/h5-14,29-30H,15H2,1-4H3
InChIKeyFVOGTDMEEYRUBQ-UHFFFAOYSA-N
XLogP6.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol 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-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol (CID 59746012) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol is Cc1cc(C2(c3cc(C)c(O)c(C)c3)Cc3cccc4cccc2c34)cc(C)c1O.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol?
The InChIKey is FVOGTDMEEYRUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-16-11-22(12-17(2)26(16)29)28(23-13-18(3)27(30)19(4)14-23)15-21-9-5-7-20-8-6-10-24(28)25(20)21/h5-14,29-30H,15H2,1-4H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol has a molecular weight of 394.51 g/mol, XLogP of 6.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2H-acenaphthylen-1-yl]-2,6-dimethylphenol is sourced from PubChem (CID 59746012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).