1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene

C14H22O — CID 134395846

IUPAC1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
SMILESCOCC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H22O/c1-11(2)9-13-5-7-14(8-6-13)12(3)10-15-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNBPURNXQFOKXQI-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.63
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene

1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene (PubChem CID 134395846) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
PubChem CID134395846
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
SMILESCOCC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H22O/c1-11(2)9-13-5-7-14(8-6-13)12(3)10-15-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNBPURNXQFOKXQI-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-methylpropyl)phenyl]propyl hypochlorite
CID 70617682
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
1-(2-methoxyethyl)-4-(2-methylpropyl)benzene
CID 67638248
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942
2-[(1-methoxy-3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 65048916

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene (CID 134395846) is 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene is COCC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene?
The InChIKey is NBPURNXQFOKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)9-13-5-7-14(8-6-13)12(3)10-15-4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene?
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene has a molecular weight of 206.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 134395846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).