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

C12H17FO2 — CID 129159906

IUPAC1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1COCCCF
InChIInChI=1S/C12H17FO2/c1-10-4-5-11(12(8-10)14-2)9-15-7-3-6-13/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyFOWUQWRKMRNBIF-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.88
Rot. Bonds6

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

1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene (PubChem CID 129159906) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene
PubChem CID129159906
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1COCCCF
InChIInChI=1S/C12H17FO2/c1-10-4-5-11(12(8-10)14-2)9-15-7-3-6-13/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyFOWUQWRKMRNBIF-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-(methoxymethyl)-4-(4-methylphenyl)benzene
CID 143812993
2,4-dimethoxy-1-(non-8-enoxymethyl)benzene
CID 155664425
1-(3-chloropropoxymethyl)-4,5-difluoro-2-methoxybenzene
CID 18755417
[2-(2-methoxyphenoxy)-4-methylphenyl]methanamine
CID 62306948
1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
CID 82790045
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 115728145
3-methoxy-4-[(4-methylphenoxy)methyl]phenol
CID 117219725
2-(2-methoxy-4-methylphenyl)ethanesulfonyl chloride
CID 83726090

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene?
The IUPAC name of 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene (CID 129159906) is 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene is COc1cc(C)ccc1COCCCF.
What is the InChIKey of 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene?
The InChIKey is FOWUQWRKMRNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-10-4-5-11(12(8-10)14-2)9-15-7-3-6-13/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene?
1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene has a molecular weight of 212.26 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropoxymethyl)-2-methoxy-4-methylbenzene is sourced from PubChem (CID 129159906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).