2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

C25H30O3 — CID 141474948

IUPAC2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cccc(C)c1O
InChIInChI=1S/C17H20O2.C8H10O/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;1-6-4-3-5-7(2)8(6)9/h5-10,18-19H,1-4H3;3-5,9H,1-2H3
InChIKeyYOBYAJYWKWWXLE-UHFFFAOYSA-N
MW378.51 g/mol
LogP6.05
Rot. Bonds2

About 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (PubChem CID 141474948) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
PubChem CID141474948
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cccc(C)c1O
InChIInChI=1S/C17H20O2.C8H10O/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;1-6-4-3-5-7(2)8(6)9/h5-10,18-19H,1-4H3;3-5,9H,1-2H3
InChIKeyYOBYAJYWKWWXLE-UHFFFAOYSA-N
XLogP6.05
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
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-(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-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
2-[1-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 150513820
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 161473279
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
CID 70521659
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 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The IUPAC name of 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (CID 141474948) is 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.
What is the SMILES notation for 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The canonical SMILES for 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cccc(C)c1O.
What is the InChIKey of 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The InChIKey is YOBYAJYWKWWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C8H10O/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;1-6-4-3-5-7(2)8(6)9/h5-10,18-19H,1-4H3;3-5,9H,1-2H3.
What are the key properties of 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol has a molecular weight of 378.51 g/mol, XLogP of 6.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is sourced from PubChem (CID 141474948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).