1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene

C17H20 — CID 134995374

IUPAC1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(C)c2cccc(C)c2C)c1
InChIInChI=1S/C17H20/c1-12-7-5-9-16(11-12)15(4)17-10-6-8-13(2)14(17)3/h5-11,15H,1-4H3
InChIKeyBHIGTCPYJCLIME-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.76
Rot. Bonds2

About 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene

1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene (PubChem CID 134995374) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene
PubChem CID134995374
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(C)c2cccc(C)c2C)c1
InChIInChI=1S/C17H20/c1-12-7-5-9-16(11-12)15(4)17-10-6-8-13(2)14(17)3/h5-11,15H,1-4H3
InChIKeyBHIGTCPYJCLIME-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
CID 141181995
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158801354
1,2-dimethyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158669113
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 134982830
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
CID 142381961
CID 142381961
2-[chloro-(2,3-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 63431805

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene?
The IUPAC name of 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene (CID 134995374) is 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene is Cc1cccc(C(C)c2cccc(C)c2C)c1.
What is the InChIKey of 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene?
The InChIKey is BHIGTCPYJCLIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-12-7-5-9-16(11-12)15(4)17-10-6-8-13(2)14(17)3/h5-11,15H,1-4H3.
What are the key properties of 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene?
1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene has a molecular weight of 224.35 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene is sourced from PubChem (CID 134995374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).