1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol

C12H17FO2 — CID 62606584

IUPAC1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(F)ccc1C
InChIInChI=1S/C12H17FO2/c1-9-5-6-10(13)8-11(9)12(14)4-3-7-15-2/h5-6,8,12,14H,3-4,7H2,1-2H3
InChIKeyKWLIKAVYLAURGE-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.59
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol

1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol (PubChem CID 62606584) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
PubChem CID62606584
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(F)ccc1C
InChIInChI=1S/C12H17FO2/c1-9-5-6-10(13)8-11(9)12(14)4-3-7-15-2/h5-6,8,12,14H,3-4,7H2,1-2H3
InChIKeyKWLIKAVYLAURGE-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
CID 63657486
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
CID 114853191
[1-(5-fluoro-2-methylphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929783
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(4-bromo-2-methylphenyl)-4-methoxybutan-1-ol
CID 115839496
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
4-methoxy-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831325
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol (CID 62606584) is 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol is COCCCC(O)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol?
The InChIKey is KWLIKAVYLAURGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-9-5-6-10(13)8-11(9)12(14)4-3-7-15-2/h5-6,8,12,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol?
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol has a molecular weight of 212.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol is sourced from PubChem (CID 62606584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).