4-[(2-methylpropan-2-yl)oxy]butylbenzene

C14H22O — CID 14937175

IUPAC4-[(2-methylpropan-2-yl)oxy]butylbenzene
SMILESCC(C)(C)OCCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKeyJNTNILFLORBITG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.82
Rot. Bonds5

About 4-[(2-methylpropan-2-yl)oxy]butylbenzene

4-[(2-methylpropan-2-yl)oxy]butylbenzene (PubChem CID 14937175) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]butylbenzene.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]butylbenzene
PubChem CID14937175
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-[(2-methylpropan-2-yl)oxy]butylbenzene
SMILESCC(C)(C)OCCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKeyJNTNILFLORBITG-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.82
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

2-methyl-2-(4-phenylbutoxy)propan-1-amine
CID 114332862
12-(trifluoromethoxy)dodecylbenzene
CID 59366570
4-phenylbutyl hypochlorite
CID 165357420
2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 62354830
tert-butyl(4-phenylbutoxy)silane
CID 154145824
7-methoxyheptylbenzene
CID 54276867
4-phenylbutylbenzene
CID 141301927
1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
CID 67023424
4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol
CID 86258794
8-(8-phenyloctoxy)octylbenzene
CID 56628536
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butylbenzene?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butylbenzene (CID 14937175) is 4-[(2-methylpropan-2-yl)oxy]butylbenzene.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]butylbenzene?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]butylbenzene is CC(C)(C)OCCCCc1ccccc1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]butylbenzene?
The InChIKey is JNTNILFLORBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]butylbenzene?
4-[(2-methylpropan-2-yl)oxy]butylbenzene has a molecular weight of 206.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]butylbenzene is sourced from PubChem (CID 14937175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).