1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene

C13H20O — CID 19097569

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
SMILESCCCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-5-6-11-7-9-12(10-8-11)14-13(2,3)4/h7-10H,5-6H2,1-4H3
InChIKeyOPGOYXGHKZOWCC-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.82
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene

1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene (PubChem CID 19097569) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
PubChem CID19097569
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
SMILESCCCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-5-6-11-7-9-12(10-8-11)14-13(2,3)4/h7-10H,5-6H2,1-4H3
InChIKeyOPGOYXGHKZOWCC-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
bis(2-methylbutan-2-yl)-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]phosphane
CID 139972852
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
(4-propylphenyl) hypochlorite
CID 175330115
N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
CID 98014897
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
ethane;1-methoxy-4-propylbenzene
CID 142085762
2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
CID 98017575
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
2-tert-butylperoxy-2-methylpropane;propylbenzene
CID 161368521

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene (CID 19097569) is 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene is CCCc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene?
The InChIKey is OPGOYXGHKZOWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-6-11-7-9-12(10-8-11)14-13(2,3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene?
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene is sourced from PubChem (CID 19097569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).