2-(2,6-dimethylphenyl)-1,3-dimethylbenzene

C16H18 — CID 11321784

IUPAC2-(2,6-dimethylphenyl)-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1c(C)cccc1C
InChIInChI=1S/C16H18/c1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
InChIKeyAPHCWWQRFOQDBK-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.59
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene

2-(2,6-dimethylphenyl)-1,3-dimethylbenzene (PubChem CID 11321784) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1,3-dimethylbenzene
PubChem CID11321784
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name2-(2,6-dimethylphenyl)-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1c(C)cccc1C
InChIInChI=1S/C16H18/c1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
InChIKeyAPHCWWQRFOQDBK-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene?
The IUPAC name of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene (CID 11321784) is 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene is Cc1cccc(C)c1-c1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene?
The InChIKey is APHCWWQRFOQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene?
2-(2,6-dimethylphenyl)-1,3-dimethylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1,3-dimethylbenzene is sourced from PubChem (CID 11321784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).