1-methyl-2-propan-2-ylbenzene;propylbenzene

C19H26 — CID 177038252

IUPAC1-methyl-2-propan-2-ylbenzene;propylbenzene
SMILESCCCc1ccccc1.Cc1ccccc1C(C)C
InChIInChI=1S/C10H14.C9H12/c1-8(2)10-7-5-4-6-9(10)3;1-2-6-9-7-4-3-5-8-9/h4-8H,1-3H3;3-5,7-8H,2,6H2,1H3
InChIKeyZIHMEDKKETYZCD-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.76
Rot. Bonds3

About 1-methyl-2-propan-2-ylbenzene;propylbenzene

1-methyl-2-propan-2-ylbenzene;propylbenzene (PubChem CID 177038252) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylbenzene;propylbenzene.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylbenzene;propylbenzene
PubChem CID177038252
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-methyl-2-propan-2-ylbenzene;propylbenzene
SMILESCCCc1ccccc1.Cc1ccccc1C(C)C
InChIInChI=1S/C10H14.C9H12/c1-8(2)10-7-5-4-6-9(10)3;1-2-6-9-7-4-3-5-8-9/h4-8H,1-3H3;3-5,7-8H,2,6H2,1H3
InChIKeyZIHMEDKKETYZCD-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-aminoethyl)-6-methylbenzenethiol;propylbenzene
CID 175085079
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
benzene;propylbenzene;toluene
CID 142060228
butylbenzene;propylbenzene
CID 142022125
cumene;ethane;methane;propylbenzene
CID 142505404
potassium;hydride;propylbenzene
CID 174749122
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylbenzene;propylbenzene?
The IUPAC name of 1-methyl-2-propan-2-ylbenzene;propylbenzene (CID 177038252) is 1-methyl-2-propan-2-ylbenzene;propylbenzene.
What is the SMILES notation for 1-methyl-2-propan-2-ylbenzene;propylbenzene?
The canonical SMILES for 1-methyl-2-propan-2-ylbenzene;propylbenzene is CCCc1ccccc1.Cc1ccccc1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylbenzene;propylbenzene?
The InChIKey is ZIHMEDKKETYZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H12/c1-8(2)10-7-5-4-6-9(10)3;1-2-6-9-7-4-3-5-8-9/h4-8H,1-3H3;3-5,7-8H,2,6H2,1H3.
What are the key properties of 1-methyl-2-propan-2-ylbenzene;propylbenzene?
1-methyl-2-propan-2-ylbenzene;propylbenzene has a molecular weight of 254.42 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylbenzene;propylbenzene is sourced from PubChem (CID 177038252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).