4-(3,4-dimethylphenyl)-1,2-dimethylbenzene

C16H18 — CID 21029

IUPAC4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
SMILESCc1ccc(-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKeyYXBIAYXZUDJVEB-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.59
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene

4-(3,4-dimethylphenyl)-1,2-dimethylbenzene (PubChem CID 21029) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
PubChem CID21029
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
SMILESCc1ccc(-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKeyYXBIAYXZUDJVEB-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 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene (CID 21029) is 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene is Cc1ccc(-c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
The InChIKey is YXBIAYXZUDJVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
4-(3,4-dimethylphenyl)-1,2-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 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene is sourced from PubChem (CID 21029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).