1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene

C20H34O2 — CID 71265117

IUPAC1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOC(C)(C)C(CC(C)(C)C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C20H34O2/c1-18(2,3)14-17(20(7,8)21-9)15-10-12-16(13-11-15)22-19(4,5)6/h10-13,17H,14H2,1-9H3
InChIKeyAKQZIVWIBAOMGJ-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.81
Rot. Bonds5

About 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene

1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 71265117) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID71265117
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOC(C)(C)C(CC(C)(C)C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C20H34O2/c1-18(2,3)14-17(20(7,8)21-9)15-10-12-16(13-11-15)22-19(4,5)6/h10-13,17H,14H2,1-9H3
InChIKeyAKQZIVWIBAOMGJ-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane
CID 134293506
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-amine;hydrochloride
CID 171234453
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123795245
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
CID 112512545
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
CID 12895748

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene (CID 71265117) is 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene is COC(C)(C)C(CC(C)(C)C)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is AKQZIVWIBAOMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-18(2,3)14-17(20(7,8)21-9)15-10-12-16(13-11-15)22-19(4,5)6/h10-13,17H,14H2,1-9H3.
What are the key properties of 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 306.49 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 71265117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).