1-(1-methoxypropan-2-yl)-3-methylbenzene

C11H16O — CID 88998801

IUPAC1-(1-methoxypropan-2-yl)-3-methylbenzene
SMILESCOCC(C)c1cccc(C)c1
InChIInChI=1S/C11H16O/c1-9-5-4-6-11(7-9)10(2)8-12-3/h4-7,10H,8H2,1-3H3
InChIKeyDJVJXFIESNUYEY-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.74
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)-3-methylbenzene

1-(1-methoxypropan-2-yl)-3-methylbenzene (PubChem CID 88998801) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-methylbenzene.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-methylbenzene
PubChem CID88998801
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(1-methoxypropan-2-yl)-3-methylbenzene
SMILESCOCC(C)c1cccc(C)c1
InChIInChI=1S/C11H16O/c1-9-5-4-6-11(7-9)10(2)8-12-3/h4-7,10H,8H2,1-3H3
InChIKeyDJVJXFIESNUYEY-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
CID 155032957
2-(3-methylphenyl)propan-1-ol
CID 21478686
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
CID 111773840
4-(3-methylphenyl)pentan-2-amine
CID 64719404
(3S)-3-(3-methylphenyl)butanenitrile
CID 102340136
3-(3-methylphenyl)butyl formate
CID 175435765
methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-methylbenzene?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-methylbenzene (CID 88998801) is 1-(1-methoxypropan-2-yl)-3-methylbenzene.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-methylbenzene?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-methylbenzene is COCC(C)c1cccc(C)c1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-methylbenzene?
The InChIKey is DJVJXFIESNUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-4-6-11(7-9)10(2)8-12-3/h4-7,10H,8H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-3-methylbenzene?
1-(1-methoxypropan-2-yl)-3-methylbenzene has a molecular weight of 164.25 g/mol, XLogP of 2.74, 3 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)-3-methylbenzene is sourced from PubChem (CID 88998801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).