4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol

C26H30O2 — CID 23033100

IUPAC4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2cccc(C(C)(C)c3ccc(O)c(C)c3)c2)ccc1O
InChIInChI=1S/C26H30O2/c1-17-14-21(10-12-23(17)27)25(3,4)19-8-7-9-20(16-19)26(5,6)22-11-13-24(28)18(2)15-22/h7-16,27-28H,1-6H3
InChIKeyDMNMLYIEIODDEW-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.37
Rot. Bonds4

About 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol

4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol (PubChem CID 23033100) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
PubChem CID23033100
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2cccc(C(C)(C)c3ccc(O)c(C)c3)c2)ccc1O
InChIInChI=1S/C26H30O2/c1-17-14-21(10-12-23(17)27)25(3,4)19-8-7-9-20(16-19)26(5,6)22-11-13-24(28)18(2)15-22/h7-16,27-28H,1-6H3
InChIKeyDMNMLYIEIODDEW-UHFFFAOYSA-N
XLogP6.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol 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

2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 153433860
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
CID 169187760
4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol
CID 71021734
2-[1-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 150513820
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
The IUPAC name of 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol (CID 23033100) is 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2cccc(C(C)(C)c3ccc(O)c(C)c3)c2)ccc1O.
What is the InChIKey of 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
The InChIKey is DMNMLYIEIODDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-17-14-21(10-12-23(17)27)25(3,4)19-8-7-9-20(16-19)26(5,6)22-11-13-24(28)18(2)15-22/h7-16,27-28H,1-6H3.
What are the key properties of 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol has a molecular weight of 374.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol is sourced from PubChem (CID 23033100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).