3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid

C16H14FNO4 — CID 157355506

IUPAC3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid
SMILESCC(Oc1ccc(O)cc1)C(=O)O.N#Cc1cccc(F)c1
InChIInChI=1S/C9H10O4.C7H4FN/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;8-7-3-1-2-6(4-7)5-9/h2-6,10H,1H3,(H,11,12);1-4H
InChIKeyBIALOBYMPSFEHQ-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.94
Rot. Bonds3

About 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid

3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid (PubChem CID 157355506) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid
PubChem CID157355506
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid
SMILESCC(Oc1ccc(O)cc1)C(=O)O.N#Cc1cccc(F)c1
InChIInChI=1S/C9H10O4.C7H4FN/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;8-7-3-1-2-6(4-7)5-9/h2-6,10H,1H3,(H,11,12);1-4H
InChIKeyBIALOBYMPSFEHQ-UHFFFAOYSA-N
XLogP2.94
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
2-(4-cyano-3-fluorophenoxy)propanoic acid
CID 22610140
ethane;3-fluorobenzonitrile
CID 143604554
(2S)-2-(4-cyanophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 129421420
(3-cyanophenyl)methyl 2-phenoxypropanoate
CID 24671771
(3-cyanophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7983583
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
3-fluorobenzonitrile;hydrochloride
CID 140590350

Frequently Asked Questions

What is the IUPAC name of 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid?
The IUPAC name of 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid (CID 157355506) is 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid.
What is the SMILES notation for 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid?
The canonical SMILES for 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid is CC(Oc1ccc(O)cc1)C(=O)O.N#Cc1cccc(F)c1.
What is the InChIKey of 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid?
The InChIKey is BIALOBYMPSFEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.C7H4FN/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;8-7-3-1-2-6(4-7)5-9/h2-6,10H,1H3,(H,11,12);1-4H.
What are the key properties of 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid?
3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid has a molecular weight of 303.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid is sourced from PubChem (CID 157355506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).