1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol

C15H17FO3 — CID 115782163

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)oc2C)cc1F
InChIInChI=1S/C15H17FO3/c1-9-6-12(10(2)19-9)14(17)8-11-4-5-15(18-3)13(16)7-11/h4-7,14,17H,8H2,1-3H3
InChIKeyQQMGMBQXQGHXKN-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.32
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol

1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 115782163) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID115782163
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)oc2C)cc1F
InChIInChI=1S/C15H17FO3/c1-9-6-12(10(2)19-9)14(17)8-11-4-5-15(18-3)13(16)7-11/h4-7,14,17H,8H2,1-3H3
InChIKeyQQMGMBQXQGHXKN-UHFFFAOYSA-N
XLogP3.32
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
CID 115782342
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105084537
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115829621
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
1-(2-fluoro-4,5-dimethoxyphenyl)-2-(4-methylphenyl)ethanol
CID 62865520
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol (CID 115782163) is 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2cc(C)oc2C)cc1F.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is QQMGMBQXQGHXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-9-6-12(10(2)19-9)14(17)8-11-4-5-15(18-3)13(16)7-11/h4-7,14,17H,8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 264.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 115782163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).