1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene

C17H20 — CID 143062787

IUPAC1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
SMILESCc1cc(C)c(C)c(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20/c1-11-8-14(4)15(5)17(9-11)16-7-6-12(2)13(3)10-16/h6-10H,1-5H3
InChIKeyAIDLCVASQITDOQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.90
Rot. Bonds1

About 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene

1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene (PubChem CID 143062787) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
PubChem CID143062787
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
SMILESCc1cc(C)c(C)c(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20/c1-11-8-14(4)15(5)17(9-11)16-7-6-12(2)13(3)10-16/h6-10H,1-5H3
InChIKeyAIDLCVASQITDOQ-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
O-Xylene
CID 7237
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene?
The IUPAC name of 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene (CID 143062787) is 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene is Cc1cc(C)c(C)c(-c2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene?
The InChIKey is AIDLCVASQITDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-11-8-14(4)15(5)17(9-11)16-7-6-12(2)13(3)10-16/h6-10H,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene?
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene is sourced from PubChem (CID 143062787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).