1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene

C15H24O — CID 90455432

IUPAC1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
SMILESCc1ccc(OC[C@@H](C)CC(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-12-6-8-14(9-7-12)16-11-13(2)10-15(3,4)5/h6-9,13H,10-11H2,1-5H3/t13-/m0/s1
InChIKeyGALVVCRKPZUXJV-ZDUSSCGKSA-N
MW220.36 g/mol
LogP4.45
Rot. Bonds4

About 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene

1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene (PubChem CID 90455432) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
PubChem CID90455432
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
SMILESCc1ccc(OC[C@@H](C)CC(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-12-6-8-14(9-7-12)16-11-13(2)10-15(3,4)5/h6-9,13H,10-11H2,1-5H3/t13-/m0/s1
InChIKeyGALVVCRKPZUXJV-ZDUSSCGKSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
CID 20667899
tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
CID 8741445
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
CID 59956887
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane
CID 53474515
2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile
CID 174024989
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene?
The IUPAC name of 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene (CID 90455432) is 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene.
What is the SMILES notation for 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene?
The canonical SMILES for 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene is Cc1ccc(OC[C@@H](C)CC(C)(C)C)cc1.
What is the InChIKey of 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene?
The InChIKey is GALVVCRKPZUXJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24O/c1-12-6-8-14(9-7-12)16-11-13(2)10-15(3,4)5/h6-9,13H,10-11H2,1-5H3/t13-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene?
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene has a molecular weight of 220.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene is sourced from PubChem (CID 90455432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).