2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid

C23H19NO4 — CID 139786036

IUPAC2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid
SMILESCc1ccc(Oc2cccc(OCc3ccccc3)c2C#N)cc1CC(=O)O
InChIInChI=1S/C23H19NO4/c1-16-10-11-19(12-18(16)13-23(25)26)28-22-9-5-8-21(20(22)14-24)27-15-17-6-3-2-4-7-17/h2-12H,13,15H2,1H3,(H,25,26)
InChIKeyUTZHUCFKPYGNMU-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.87
Rot. Bonds7

About 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid

2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid (PubChem CID 139786036) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid
PubChem CID139786036
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid
SMILESCc1ccc(Oc2cccc(OCc3ccccc3)c2C#N)cc1CC(=O)O
InChIInChI=1S/C23H19NO4/c1-16-10-11-19(12-18(16)13-23(25)26)28-22-9-5-8-21(20(22)14-24)27-15-17-6-3-2-4-7-17/h2-12H,13,15H2,1H3,(H,25,26)
InChIKeyUTZHUCFKPYGNMU-UHFFFAOYSA-N
XLogP4.87
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
2-butoxy-6-phenylmethoxybenzonitrile
CID 90930969
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-phenylmethoxy-6-[[5',6,6'-tris(2-cyano-3-phenylmethoxyphenoxy)-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]oxy]benzonitrile
CID 129183024
tert-butyl N-[4-(2-cyano-3-phenylmethoxyphenoxy)butyl]carbamate
CID 68842090
[4-[3-(4-acetyloxyphenoxy)-2-cyanophenoxy]phenyl] acetate
CID 70429042
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
2,6-diphenoxybenzonitrile
CID 71353957
2-[2-[[3-(3-cyano-2-methylphenyl)phenyl]methoxy]phenyl]acetic acid
CID 121347431
2-[3-(2-cyano-4-methylphenoxy)phenyl]acetic acid
CID 107931905
2-[4-[4-(2-cyano-3-methylphenoxy)benzoyl]phenoxy]-6-methylbenzonitrile
CID 155642413
2-(2,5-dimethylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 46769353

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid?
The IUPAC name of 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid (CID 139786036) is 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid.
What is the SMILES notation for 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid?
The canonical SMILES for 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid is Cc1ccc(Oc2cccc(OCc3ccccc3)c2C#N)cc1CC(=O)O.
What is the InChIKey of 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid?
The InChIKey is UTZHUCFKPYGNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-16-10-11-19(12-18(16)13-23(25)26)28-22-9-5-8-21(20(22)14-24)27-15-17-6-3-2-4-7-17/h2-12H,13,15H2,1H3,(H,25,26).
What are the key properties of 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid?
2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid is sourced from PubChem (CID 139786036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).