1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene

C15H24O — CID 121309447

IUPAC1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
SMILESCOc1ccc(C(C)(C)CCC(C)C)cc1
InChIInChI=1S/C15H24O/c1-12(2)10-11-15(3,4)13-6-8-14(16-5)9-7-13/h6-9,12H,10-11H2,1-5H3
InChIKeyIGVXYYGMLZJQKC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds5

About 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene

1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene (PubChem CID 121309447) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
PubChem CID121309447
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
SMILESCOc1ccc(C(C)(C)CCC(C)C)cc1
InChIInChI=1S/C15H24O/c1-12(2)10-11-15(3,4)13-6-8-14(16-5)9-7-13/h6-9,12H,10-11H2,1-5H3
InChIKeyIGVXYYGMLZJQKC-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
1-(2,5-dimethylhexan-2-yl)-4-ethynylbenzene
CID 14989668
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
1-methoxy-4-(2,4,4,5-tetramethylhexan-2-yl)benzene;molecular hydrogen
CID 169244541
1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene
CID 10220935
1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
CID 633671
2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
CID 60992410
1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene
CID 135218322
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180040
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene?
The IUPAC name of 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene (CID 121309447) is 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene?
The canonical SMILES for 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene is COc1ccc(C(C)(C)CCC(C)C)cc1.
What is the InChIKey of 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene?
The InChIKey is IGVXYYGMLZJQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)10-11-15(3,4)13-6-8-14(16-5)9-7-13/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene?
1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene is sourced from PubChem (CID 121309447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).