2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol

C26H30O2 — CID 70521659

IUPAC2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
SMILESCc1cccc(C(C)(C)c2cccc(C(C)(C)c3cccc(C)c3O)c2)c1O
InChIInChI=1S/C26H30O2/c1-17-10-7-14-21(23(17)27)25(3,4)19-12-9-13-20(16-19)26(5,6)22-15-8-11-18(2)24(22)28/h7-16,27-28H,1-6H3
InChIKeyBTKSEHFESXPIMO-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.37
Rot. Bonds4

About 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol

2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol (PubChem CID 70521659) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol.

Molecular Properties

Compound Name2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
PubChem CID70521659
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
SMILESCc1cccc(C(C)(C)c2cccc(C(C)(C)c3cccc(C)c3O)c2)c1O
InChIInChI=1S/C26H30O2/c1-17-10-7-14-21(23(17)27)25(3,4)19-12-9-13-20(16-19)26(5,6)22-15-8-11-18(2)24(22)28/h7-16,27-28H,1-6H3
InChIKeyBTKSEHFESXPIMO-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

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Related Compounds

2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol
CID 121304104
2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-methylphenol;methane
CID 159779150
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
CID 23082352
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
bis(2-tert-butyl-6-methylphenol);dichlorotitanium
CID 15872809
3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol
CID 118041075
1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326652
4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol
CID 21020630
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol?
The IUPAC name of 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol (CID 70521659) is 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol.
What is the SMILES notation for 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol?
The canonical SMILES for 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol is Cc1cccc(C(C)(C)c2cccc(C(C)(C)c3cccc(C)c3O)c2)c1O.
What is the InChIKey of 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol?
The InChIKey is BTKSEHFESXPIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-17-10-7-14-21(23(17)27)25(3,4)19-12-9-13-20(16-19)26(5,6)22-15-8-11-18(2)24(22)28/h7-16,27-28H,1-6H3.
What are the key properties of 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol?
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-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 2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol is sourced from PubChem (CID 70521659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).