4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol

C28H34O2 — CID 18412872

IUPAC4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2ccc(C(C)C)c(-c3cc(C)c(O)c(C)c3)c2C(C)C)cc(C)c1O
InChIInChI=1S/C28H34O2/c1-15(2)23-9-10-24(21-11-17(5)27(29)18(6)12-21)25(16(3)4)26(23)22-13-19(7)28(30)20(8)14-22/h9-16,29-30H,1-8H3
InChIKeyOEFIBDIFBCJXLX-UHFFFAOYSA-N
MW402.58 g/mol
LogP7.91
Rot. Bonds4

About 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol

4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol (PubChem CID 18412872) has the molecular formula C28H34O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol
PubChem CID18412872
Molecular FormulaC28H34O2
Molecular Weight402.58 g/mol
Exact Mass402.26
IUPAC Name4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2ccc(C(C)C)c(-c3cc(C)c(O)c(C)c3)c2C(C)C)cc(C)c1O
InChIInChI=1S/C28H34O2/c1-15(2)23-9-10-24(21-11-17(5)27(29)18(6)12-21)25(16(3)4)26(23)22-13-19(7)28(30)20(8)14-22/h9-16,29-30H,1-8H3
InChIKeyOEFIBDIFBCJXLX-UHFFFAOYSA-N
XLogP7.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-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

Related Compounds

3,4-bis(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 151204371
3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 101299392
4-(4-hydroxy-3,5-dimethylphenyl)-2,3-dimethylphenol
CID 139788678
2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol
CID 19094777
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol
CID 88696322
4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline
CID 67742579
2-methyl-4-(2-propan-2-ylphenyl)phenol
CID 22438316
2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
CID 69105545
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol
CID 175217725
4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
CID 101299553
4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol
CID 67653349

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol (CID 18412872) is 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol is Cc1cc(-c2ccc(C(C)C)c(-c3cc(C)c(O)c(C)c3)c2C(C)C)cc(C)c1O.
What is the InChIKey of 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol?
The InChIKey is OEFIBDIFBCJXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O2/c1-15(2)23-9-10-24(21-11-17(5)27(29)18(6)12-21)25(16(3)4)26(23)22-13-19(7)28(30)20(8)14-22/h9-16,29-30H,1-8H3.
What are the key properties of 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol?
4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol has a molecular weight of 402.58 g/mol, XLogP of 7.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol is sourced from PubChem (CID 18412872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).