4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene

C12H18O3 — CID 59177328

IUPAC4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
SMILESCOCCCOc1cc(OC)ccc1C
InChIInChI=1S/C12H18O3/c1-10-5-6-11(14-3)9-12(10)15-8-4-7-13-2/h5-6,9H,4,7-8H2,1-3H3
InChIKeyXEWLDDRYKXIMDE-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.42
Rot. Bonds6

About 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene

4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene (PubChem CID 59177328) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene.

Molecular Properties

Compound Name4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
PubChem CID59177328
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
SMILESCOCCCOc1cc(OC)ccc1C
InChIInChI=1S/C12H18O3/c1-10-5-6-11(14-3)9-12(10)15-8-4-7-13-2/h5-6,9H,4,7-8H2,1-3H3
InChIKeyXEWLDDRYKXIMDE-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-iodo-2-(3-methoxypropoxy)-1-methylbenzene
CID 143499905
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one
CID 70830480

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene?
The IUPAC name of 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene (CID 59177328) is 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene.
What is the SMILES notation for 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene?
The canonical SMILES for 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene is COCCCOc1cc(OC)ccc1C.
What is the InChIKey of 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene?
The InChIKey is XEWLDDRYKXIMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10-5-6-11(14-3)9-12(10)15-8-4-7-13-2/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene?
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene has a molecular weight of 210.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene is sourced from PubChem (CID 59177328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).