1-(2,4-dimethylheptoxy)-4-methylbenzene

C16H26O — CID 144527074

IUPAC1-(2,4-dimethylheptoxy)-4-methylbenzene
SMILESCCCC(C)CC(C)COc1ccc(C)cc1
InChIInChI=1S/C16H26O/c1-5-6-14(3)11-15(4)12-17-16-9-7-13(2)8-10-16/h7-10,14-15H,5-6,11-12H2,1-4H3
InChIKeyIBMNDAWMHXVRBG-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.84
Rot. Bonds7

About 1-(2,4-dimethylheptoxy)-4-methylbenzene

1-(2,4-dimethylheptoxy)-4-methylbenzene (PubChem CID 144527074) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(2,4-dimethylheptoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,4-dimethylheptoxy)-4-methylbenzene
PubChem CID144527074
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(2,4-dimethylheptoxy)-4-methylbenzene
SMILESCCCC(C)CC(C)COc1ccc(C)cc1
InChIInChI=1S/C16H26O/c1-5-6-14(3)11-15(4)12-17-16-9-7-13(2)8-10-16/h7-10,14-15H,5-6,11-12H2,1-4H3
InChIKeyIBMNDAWMHXVRBG-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
CID 20667899
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
N-ethyl-4-methyl-1-phenoxyheptan-2-amine
CID 62715859
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine
CID 117241951
4-methyl-1-(4-methylphenyl)heptan-2-amine
CID 62605792
(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine
CID 86658398

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylheptoxy)-4-methylbenzene?
The IUPAC name of 1-(2,4-dimethylheptoxy)-4-methylbenzene (CID 144527074) is 1-(2,4-dimethylheptoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2,4-dimethylheptoxy)-4-methylbenzene?
The canonical SMILES for 1-(2,4-dimethylheptoxy)-4-methylbenzene is CCCC(C)CC(C)COc1ccc(C)cc1.
What is the InChIKey of 1-(2,4-dimethylheptoxy)-4-methylbenzene?
The InChIKey is IBMNDAWMHXVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-5-6-14(3)11-15(4)12-17-16-9-7-13(2)8-10-16/h7-10,14-15H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(2,4-dimethylheptoxy)-4-methylbenzene?
1-(2,4-dimethylheptoxy)-4-methylbenzene has a molecular weight of 234.38 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylheptoxy)-4-methylbenzene is sourced from PubChem (CID 144527074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).