1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene

C22H30 — CID 54553912

IUPAC1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
SMILESCCCc1c(C)cccc1C(C)c1cccc(C)c1CCC
InChIInChI=1S/C22H30/c1-6-10-19-16(3)12-8-14-21(19)18(5)22-15-9-13-17(4)20(22)11-7-2/h8-9,12-15,18H,6-7,10-11H2,1-5H3
InChIKeyZLUZJXLFCMUQBO-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.36
Rot. Bonds6

About 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene

1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene (PubChem CID 54553912) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene.

Molecular Properties

Compound Name1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
PubChem CID54553912
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
SMILESCCCc1c(C)cccc1C(C)c1cccc(C)c1CCC
InChIInChI=1S/C22H30/c1-6-10-19-16(3)12-8-14-21(19)18(5)22-15-9-13-17(4)20(22)11-7-2/h8-9,12-15,18H,6-7,10-11H2,1-5H3
InChIKeyZLUZJXLFCMUQBO-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-pentyl-3-propan-2-ylbenzene
CID 173336481
2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
CID 143754852
1,3-dimethyl-2-propylbenzene;prop-1-yne
CID 143326143
2-butyl-1-propan-2-yl-3-propylbenzene
CID 173336292
1-(2-ethyl-3-methylphenyl)propan-1-amine
CID 55283477
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
1-methyl-2-propan-2-ylbenzene;propylbenzene
CID 177038252
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
2-(3-bromopropyl)-1-(difluoromethyl)-3-methylbenzene
CID 118830984
(3-propan-2-yl-2-propylphenyl) thiohypofluorite
CID 129070029
(2-butan-2-yl-6-methylphenyl)methanamine;ethane
CID 143860612
(2-ethyl-6-methylphenyl)methylphosphanium bromide
CID 68944646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene?
The IUPAC name of 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene (CID 54553912) is 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene.
What is the SMILES notation for 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene?
The canonical SMILES for 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene is CCCc1c(C)cccc1C(C)c1cccc(C)c1CCC.
What is the InChIKey of 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene?
The InChIKey is ZLUZJXLFCMUQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-6-10-19-16(3)12-8-14-21(19)18(5)22-15-9-13-17(4)20(22)11-7-2/h8-9,12-15,18H,6-7,10-11H2,1-5H3.
What are the key properties of 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene?
1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene is sourced from PubChem (CID 54553912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).