(3-methyl-4-phenylbutoxy)methylbenzene

C18H22O — CID 86049172

IUPAC(3-methyl-4-phenylbutoxy)methylbenzene
SMILESCC(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22O/c1-16(14-17-8-4-2-5-9-17)12-13-19-15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyYMARTKLJJXOFKA-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.47
Rot. Bonds7

About (3-methyl-4-phenylbutoxy)methylbenzene

(3-methyl-4-phenylbutoxy)methylbenzene (PubChem CID 86049172) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-methyl-4-phenylbutoxy)methylbenzene.

Molecular Properties

Compound Name(3-methyl-4-phenylbutoxy)methylbenzene
PubChem CID86049172
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(3-methyl-4-phenylbutoxy)methylbenzene
SMILESCC(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22O/c1-16(14-17-8-4-2-5-9-17)12-13-19-15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyYMARTKLJJXOFKA-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
CID 175085284
(3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane
CID 174463599
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
3-methyl-N-phenyl-5-phenylmethoxypentanamide
CID 175774392
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylbutoxy)methylbenzene?
The IUPAC name of (3-methyl-4-phenylbutoxy)methylbenzene (CID 86049172) is (3-methyl-4-phenylbutoxy)methylbenzene.
What is the SMILES notation for (3-methyl-4-phenylbutoxy)methylbenzene?
The canonical SMILES for (3-methyl-4-phenylbutoxy)methylbenzene is CC(CCOCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3-methyl-4-phenylbutoxy)methylbenzene?
The InChIKey is YMARTKLJJXOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-16(14-17-8-4-2-5-9-17)12-13-19-15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3.
What are the key properties of (3-methyl-4-phenylbutoxy)methylbenzene?
(3-methyl-4-phenylbutoxy)methylbenzene has a molecular weight of 254.37 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylbutoxy)methylbenzene is sourced from PubChem (CID 86049172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).