2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol

C30H32O2 — CID 159777739

IUPAC2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol
SMILESCc1cccc(C)c1-c1c(C)cccc1C.Cc1cccc(O)c1-c1c(C)cccc1O
InChIInChI=1S/C16H18.C14H14O2/c1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4;1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h5-10H,1-4H3;3-8,15-16H,1-2H3
InChIKeyNGYRDALPQFNGDL-UHFFFAOYSA-N
MW424.58 g/mol
LogP7.97
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol

2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol (PubChem CID 159777739) has the molecular formula C30H32O2 and a molecular weight of 424.58 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol
PubChem CID159777739
Molecular FormulaC30H32O2
Molecular Weight424.58 g/mol
Exact Mass424.24
IUPAC Name2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol
SMILESCc1cccc(C)c1-c1c(C)cccc1C.Cc1cccc(O)c1-c1c(C)cccc1O
InChIInChI=1S/C16H18.C14H14O2/c1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4;1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h5-10H,1-4H3;3-8,15-16H,1-2H3
InChIKeyNGYRDALPQFNGDL-UHFFFAOYSA-N
XLogP7.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.58
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108
3,8-dimethylazulen-4-ol
CID 11557365
2-(2,6-dimethylphenyl)-6-methylphenol
CID 101298816
1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
CID 176589323
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
3-methylbenzene-1,2-diol
CID 135381405
hydrazine;2-methylphenol
CID 174667823
3-(2-hydroxy-6-methylphenyl)-2,6-dimethylphenol
CID 101299280
methanamine;2-methylphenol
CID 19359053
2-(3-hydroxy-5-methylphenyl)-3-methylphenol
CID 101298988
7-hydroxy-6-(2-hydroxy-6-methylphenyl)-9-methyl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-3-one
CID 141098740

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol?
The IUPAC name of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol (CID 159777739) is 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol is Cc1cccc(C)c1-c1c(C)cccc1C.Cc1cccc(O)c1-c1c(C)cccc1O.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol?
The InChIKey is NGYRDALPQFNGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C14H14O2/c1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4;1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h5-10H,1-4H3;3-8,15-16H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol?
2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol has a molecular weight of 424.58 g/mol, XLogP of 7.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol is sourced from PubChem (CID 159777739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).