4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile

C16H14FNO3 — CID 110885092

IUPAC4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCC(O)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-20-16-8-11(9-18)6-7-15(16)21-10-14(19)12-4-2-3-5-13(12)17/h2-8,14,19H,10H2,1H3
InChIKeyGFHYIFVJLQOESH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.82
Rot. Bonds5

About 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile

4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile (PubChem CID 110885092) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile
PubChem CID110885092
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCC(O)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-20-16-8-11(9-18)6-7-15(16)21-10-14(19)12-4-2-3-5-13(12)17/h2-8,14,19H,10H2,1H3
InChIKeyGFHYIFVJLQOESH-UHFFFAOYSA-N
XLogP2.82
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
CID 103865817
4-[2-(2-aminophenyl)-2-hydroxyethoxy]-3-fluorobenzonitrile
CID 107670198
3-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethoxy]-4-methylbenzonitrile
CID 109416668
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
3-fluoro-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzonitrile
CID 109416164
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
4-(2-bromo-3,3,3-trifluoropropoxy)-3-methoxybenzonitrile
CID 64758305
4-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-3-methoxybenzonitrile
CID 78938589
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzonitrile
CID 43166080
4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methoxybenzonitrile
CID 21421199

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile (CID 110885092) is 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCC(O)c1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile?
The InChIKey is GFHYIFVJLQOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-20-16-8-11(9-18)6-7-15(16)21-10-14(19)12-4-2-3-5-13(12)17/h2-8,14,19H,10H2,1H3.
What are the key properties of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile?
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile has a molecular weight of 287.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 110885092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).