1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene

C13H20 — CID 176819628

IUPAC1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
SMILESCC[C@@H](c1ccc(C)cc1)C(C)C
InChIInChI=1S/C13H20/c1-5-13(10(2)3)12-8-6-11(4)7-9-12/h6-10,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyFFNGDYSGEZVEPA-CYBMUJFWSA-N
MW176.30 g/mol
LogP4.14
Rot. Bonds3

About 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene

1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene (PubChem CID 176819628) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
PubChem CID176819628
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
SMILESCC[C@@H](c1ccc(C)cc1)C(C)C
InChIInChI=1S/C13H20/c1-5-13(10(2)3)12-8-6-11(4)7-9-12/h6-10,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyFFNGDYSGEZVEPA-CYBMUJFWSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
CID 70849693
1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
CID 142349807
5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine
CID 145116253
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[3-methyl-2-(4-pentan-3-ylphenyl)butyl]phenyl]-N-(4-methylphenyl)aniline
CID 143848074
[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
CID 157214226
1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene
CID 143022955
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
1-(1-bromo-2-ethylbutyl)-4-methylbenzene
CID 63437265

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene?
The IUPAC name of 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene (CID 176819628) is 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene?
The canonical SMILES for 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene is CC[C@@H](c1ccc(C)cc1)C(C)C.
What is the InChIKey of 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene?
The InChIKey is FFNGDYSGEZVEPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20/c1-5-13(10(2)3)12-8-6-11(4)7-9-12/h6-10,13H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene?
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene has a molecular weight of 176.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene is sourced from PubChem (CID 176819628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).