1-methyl-4-[(2R)-2-methylbutyl]benzene

C12H18 — CID 59123946

IUPAC1-methyl-4-[(2R)-2-methylbutyl]benzene
SMILESCC[C@@H](C)Cc1ccc(C)cc1
InChIInChI=1S/C12H18/c1-4-10(2)9-12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyXPCLINDRYZAPTJ-SNVBAGLBSA-N
MW162.28 g/mol
LogP3.58
Rot. Bonds3

About 1-methyl-4-[(2R)-2-methylbutyl]benzene

1-methyl-4-[(2R)-2-methylbutyl]benzene (PubChem CID 59123946) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-2-methylbutyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2R)-2-methylbutyl]benzene
PubChem CID59123946
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-methyl-4-[(2R)-2-methylbutyl]benzene
SMILESCC[C@@H](C)Cc1ccc(C)cc1
InChIInChI=1S/C12H18/c1-4-10(2)9-12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyXPCLINDRYZAPTJ-SNVBAGLBSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[(2R)-2-methylbutyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene
CID 170359359
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
[4-(2-methylbutyl)phenyl]boronic acid
CID 18754957
1-(2-methylbutyl)-4-[4-[4-(2-methylbutyl)phenyl]buta-1,3-diynyl]benzene
CID 86002723

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-2-methylbutyl]benzene?
The IUPAC name of 1-methyl-4-[(2R)-2-methylbutyl]benzene (CID 59123946) is 1-methyl-4-[(2R)-2-methylbutyl]benzene.
What is the SMILES notation for 1-methyl-4-[(2R)-2-methylbutyl]benzene?
The canonical SMILES for 1-methyl-4-[(2R)-2-methylbutyl]benzene is CC[C@@H](C)Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2R)-2-methylbutyl]benzene?
The InChIKey is XPCLINDRYZAPTJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18/c1-4-10(2)9-12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-2-methylbutyl]benzene?
1-methyl-4-[(2R)-2-methylbutyl]benzene has a molecular weight of 162.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-2-methylbutyl]benzene is sourced from PubChem (CID 59123946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).