butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene

C19H33FO5 — CID 142875818

IUPACbutan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene
SMILESCCCCO.COCCOCCCOCCOc1ccc(C)cc1F
InChIInChI=1S/C15H23FO4.C4H10O/c1-13-4-5-15(14(16)12-13)20-11-10-19-7-3-6-18-9-8-17-2;1-2-3-4-5/h4-5,12H,3,6-11H2,1-2H3;5H,2-4H2,1H3
InChIKeyGYQMTJJHSKILMN-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.36
Rot. Bonds13

About butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene

butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene (PubChem CID 142875818) has the molecular formula C19H33FO5 and a molecular weight of 360.47 g/mol. Its IUPAC name is butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene.

Molecular Properties

Compound Namebutan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene
PubChem CID142875818
Molecular FormulaC19H33FO5
Molecular Weight360.47 g/mol
Exact Mass360.23
IUPAC Namebutan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene
SMILESCCCCO.COCCOCCCOCCOc1ccc(C)cc1F
InChIInChI=1S/C15H23FO4.C4H10O/c1-13-4-5-15(14(16)12-13)20-11-10-19-7-3-6-18-9-8-17-2;1-2-3-4-5/h4-5,12H,3,6-11H2,1-2H3;5H,2-4H2,1H3
InChIKeyGYQMTJJHSKILMN-UHFFFAOYSA-N
XLogP3.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene?
The IUPAC name of butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene (CID 142875818) is butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene.
What is the SMILES notation for butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene?
The canonical SMILES for butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene is CCCCO.COCCOCCCOCCOc1ccc(C)cc1F.
What is the InChIKey of butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene?
The InChIKey is GYQMTJJHSKILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO4.C4H10O/c1-13-4-5-15(14(16)12-13)20-11-10-19-7-3-6-18-9-8-17-2;1-2-3-4-5/h4-5,12H,3,6-11H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene?
butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene has a molecular weight of 360.47 g/mol, XLogP of 3.36, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;2-fluoro-1-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]-4-methylbenzene is sourced from PubChem (CID 142875818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).