1-methyl-2-(2-pentan-2-ylphenyl)benzene

C18H22 — CID 156706346

IUPAC1-methyl-2-(2-pentan-2-ylphenyl)benzene
SMILESCCCC(C)c1ccccc1-c1ccccc1C
InChIInChI=1S/C18H22/c1-4-9-14(2)16-12-7-8-13-18(16)17-11-6-5-10-15(17)3/h5-8,10-14H,4,9H2,1-3H3
InChIKeyIHTHERVIPVSBAP-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.57
Rot. Bonds4

About 1-methyl-2-(2-pentan-2-ylphenyl)benzene

1-methyl-2-(2-pentan-2-ylphenyl)benzene (PubChem CID 156706346) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-2-(2-pentan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-pentan-2-ylphenyl)benzene
PubChem CID156706346
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-methyl-2-(2-pentan-2-ylphenyl)benzene
SMILESCCCC(C)c1ccccc1-c1ccccc1C
InChIInChI=1S/C18H22/c1-4-9-14(2)16-12-7-8-13-18(16)17-11-6-5-10-15(17)3/h5-8,10-14H,4,9H2,1-3H3
InChIKeyIHTHERVIPVSBAP-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-[2-(2-methylphenyl)phenyl]ethanethiol
CID 173178186
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-pentan-2-yl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 91254497
butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene
CID 145219671
2-(2-butan-2-ylphenyl)-3-methylnaphthalene
CID 144741250
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
O-(2-pentan-2-ylphenyl)hydroxylamine
CID 173492752
CID 174078311
CID 174078311
octyl 2-[2-(2-methylphenyl)phenyl]propanoate
CID 174522332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-pentan-2-ylphenyl)benzene?
The IUPAC name of 1-methyl-2-(2-pentan-2-ylphenyl)benzene (CID 156706346) is 1-methyl-2-(2-pentan-2-ylphenyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-pentan-2-ylphenyl)benzene?
The canonical SMILES for 1-methyl-2-(2-pentan-2-ylphenyl)benzene is CCCC(C)c1ccccc1-c1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-pentan-2-ylphenyl)benzene?
The InChIKey is IHTHERVIPVSBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-4-9-14(2)16-12-7-8-13-18(16)17-11-6-5-10-15(17)3/h5-8,10-14H,4,9H2,1-3H3.
What are the key properties of 1-methyl-2-(2-pentan-2-ylphenyl)benzene?
1-methyl-2-(2-pentan-2-ylphenyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-pentan-2-ylphenyl)benzene is sourced from PubChem (CID 156706346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).