1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene

C17H19Cl — CID 91389922

IUPAC1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene
SMILESCc1ccc(Cl)c(-c2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C17H19Cl/c1-11(2)14-7-5-12(3)9-15(14)16-10-13(4)6-8-17(16)18/h5-11H,1-4H3
InChIKeyHSOXETMWTJTTRY-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.75
Rot. Bonds2

About 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene

1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene (PubChem CID 91389922) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene
PubChem CID91389922
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene
SMILESCc1ccc(Cl)c(-c2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C17H19Cl/c1-11(2)14-7-5-12(3)9-15(14)16-10-13(4)6-8-17(16)18/h5-11H,1-4H3
InChIKeyHSOXETMWTJTTRY-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene
CID 123460717
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
potassium 5-methyl-2-propan-2-ylphenolate
CID 23693969
2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
CID 164993906
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
1,6-dimethyl-4-propan-2-ylnaphthalene
CID 10225
1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541808
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene?
The IUPAC name of 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene (CID 91389922) is 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene is Cc1ccc(Cl)c(-c2cc(C)ccc2C(C)C)c1.
What is the InChIKey of 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene?
The InChIKey is HSOXETMWTJTTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c1-11(2)14-7-5-12(3)9-15(14)16-10-13(4)6-8-17(16)18/h5-11H,1-4H3.
What are the key properties of 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene?
1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene has a molecular weight of 258.79 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene is sourced from PubChem (CID 91389922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).