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

C15H24O — CID 144625021

IUPAC1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
SMILESCC[C@@H](C)Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-13(4)10-14-6-8-15(9-7-14)16-11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyOLQNOIPVKAJHEE-CYBMUJFWSA-N
MW220.36 g/mol
LogP4.31
Rot. Bonds6

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

1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene (PubChem CID 144625021) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
PubChem CID144625021
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
SMILESCC[C@@H](C)Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-13(4)10-14-6-8-15(9-7-14)16-11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyOLQNOIPVKAJHEE-CYBMUJFWSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
2-[4-(2-methylpropoxy)phenyl]ethanethiol
CID 95441132
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
CID 101070141
4-[(2S)-2-methylbutoxy]phenol
CID 1490310

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene?
The IUPAC name of 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene (CID 144625021) is 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene.
What is the SMILES notation for 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene?
The canonical SMILES for 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene is CC[C@@H](C)Cc1ccc(OCC(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene?
The InChIKey is OLQNOIPVKAJHEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24O/c1-5-13(4)10-14-6-8-15(9-7-14)16-11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene?
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene has a molecular weight of 220.36 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene is sourced from PubChem (CID 144625021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).