1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane

C20H28 — CID 141181995

IUPAC1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
SMILESCC.Cc1ccc(C(C)c2cccc(C)c2C)cc1C
InChIInChI=1S/C18H22.C2H6/c1-12-9-10-17(11-14(12)3)16(5)18-8-6-7-13(2)15(18)4;1-2/h6-11,16H,1-5H3;1-2H3
InChIKeyFFPQIZBBPVLPQB-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.10
Rot. Bonds2

About 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane

1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane (PubChem CID 141181995) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
PubChem CID141181995
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
SMILESCC.Cc1ccc(C(C)c2cccc(C)c2C)cc1C
InChIInChI=1S/C18H22.C2H6/c1-12-9-10-17(11-14(12)3)16(5)18-8-6-7-13(2)15(18)4;1-2/h6-11,16H,1-5H3;1-2H3
InChIKeyFFPQIZBBPVLPQB-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene
CID 134995374
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene
CID 162074813
1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 134982830
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
1-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbenzene
CID 63443103
1,2-dimethyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158669113
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane (CID 141181995) is 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane is CC.Cc1ccc(C(C)c2cccc(C)c2C)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane?
The InChIKey is FFPQIZBBPVLPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.C2H6/c1-12-9-10-17(11-14(12)3)16(5)18-8-6-7-13(2)15(18)4;1-2/h6-11,16H,1-5H3;1-2H3.
What are the key properties of 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane?
1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane has a molecular weight of 268.44 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane is sourced from PubChem (CID 141181995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).