1-(1-methoxypropan-2-yloxy)-4-methylbenzene

C11H16O2 — CID 64765827

IUPAC1-(1-methoxypropan-2-yloxy)-4-methylbenzene
SMILESCOCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C11H16O2/c1-9-4-6-11(7-5-9)13-10(2)8-12-3/h4-7,10H,8H2,1-3H3
InChIKeyMTSHUVOLRLRBPR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.41
Rot. Bonds4

About 1-(1-methoxypropan-2-yloxy)-4-methylbenzene

1-(1-methoxypropan-2-yloxy)-4-methylbenzene (PubChem CID 64765827) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-4-methylbenzene
PubChem CID64765827
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(1-methoxypropan-2-yloxy)-4-methylbenzene
SMILESCOCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C11H16O2/c1-9-4-6-11(7-5-9)13-10(2)8-12-3/h4-7,10H,8H2,1-3H3
InChIKeyMTSHUVOLRLRBPR-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
CID 59273396
2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate
CID 169153466
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine
CID 113323073
N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide
CID 77020797
methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene
CID 158906907
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene
CID 166436778
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-4-methylbenzene?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-4-methylbenzene (CID 64765827) is 1-(1-methoxypropan-2-yloxy)-4-methylbenzene.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-4-methylbenzene?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-4-methylbenzene is COCC(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-4-methylbenzene?
The InChIKey is MTSHUVOLRLRBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-4-6-11(7-5-9)13-10(2)8-12-3/h4-7,10H,8H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-4-methylbenzene?
1-(1-methoxypropan-2-yloxy)-4-methylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-4-methylbenzene is sourced from PubChem (CID 64765827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).