1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol

C14H21FO2 — CID 106884071

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H21FO2/c1-9-7-10(2)14(12(15)8-9)13(16)6-5-11(3)17-4/h7-8,11,13,16H,5-6H2,1-4H3
InChIKeyLMZVAVNNSBIXHB-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.29
Rot. Bonds5

About 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol

1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol (PubChem CID 106884071) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
PubChem CID106884071
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H21FO2/c1-9-7-10(2)14(12(15)8-9)13(16)6-5-11(3)17-4/h7-8,11,13,16H,5-6H2,1-4H3
InChIKeyLMZVAVNNSBIXHB-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
CID 106881114
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 106881196
3-(2-fluoro-4,6-dimethylphenyl)pentane-2,4-dione
CID 58964845
1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
CID 61100809
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol (CID 106884071) is 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol is COC(C)CCC(O)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol?
The InChIKey is LMZVAVNNSBIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-9-7-10(2)14(12(15)8-9)13(16)6-5-11(3)17-4/h7-8,11,13,16H,5-6H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol?
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol is sourced from PubChem (CID 106884071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).