2-cyano-2-phenoxy-2-phenylacetic acid

C15H11NO3 — CID 66769789

IUPAC2-cyano-2-phenoxy-2-phenylacetic acid
SMILESN#CC(Oc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H11NO3/c16-11-15(14(17)18,12-7-3-1-4-8-12)19-13-9-5-2-6-10-13/h1-10H,(H,17,18)
InChIKeyHHBQSSZVLASGCS-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.57
Rot. Bonds4

About 2-cyano-2-phenoxy-2-phenylacetic acid

2-cyano-2-phenoxy-2-phenylacetic acid (PubChem CID 66769789) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-cyano-2-phenoxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-cyano-2-phenoxy-2-phenylacetic acid
PubChem CID66769789
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-cyano-2-phenoxy-2-phenylacetic acid
SMILESN#CC(Oc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H11NO3/c16-11-15(14(17)18,12-7-3-1-4-8-12)19-13-9-5-2-6-10-13/h1-10H,(H,17,18)
InChIKeyHHBQSSZVLASGCS-UHFFFAOYSA-N
XLogP2.57
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dibromo-2-phenoxyacetic acid
CID 154192322
2-phenoxy-2-phenylbutanoic acid;dihydrate
CID 20567349
2-cyano-3-hydroxy-2-phenoxyhexanoic acid
CID 54065072
methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
CID 45379026
tert-butyl 2-cyano-2-phenoxypropanoate
CID 139826805
(E)-3,4-dichloro-2-methoxy-2-phenylbut-3-enenitrile
CID 102316795
2-phenoxy-2-phenylbutanoic acid
CID 20567350
3-hydroxy-2-phenoxy-2-phenylbutanedioic acid
CID 70563438
2-cyano-3,3-diethyl-2-phenylbutanedioic acid
CID 54145473
(1-ethenyl-1-phenylprop-2-enoxy)benzene
CID 67928175
2-(2-nitrophenyl)-2-phenoxy-2-phenylacetonitrile
CID 56925957
(1,2-diphenoxy-1,2,2-triphenylethyl)benzene
CID 10164874

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-phenoxy-2-phenylacetic acid?
The IUPAC name of 2-cyano-2-phenoxy-2-phenylacetic acid (CID 66769789) is 2-cyano-2-phenoxy-2-phenylacetic acid.
What is the SMILES notation for 2-cyano-2-phenoxy-2-phenylacetic acid?
The canonical SMILES for 2-cyano-2-phenoxy-2-phenylacetic acid is N#CC(Oc1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-cyano-2-phenoxy-2-phenylacetic acid?
The InChIKey is HHBQSSZVLASGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-11-15(14(17)18,12-7-3-1-4-8-12)19-13-9-5-2-6-10-13/h1-10H,(H,17,18).
What are the key properties of 2-cyano-2-phenoxy-2-phenylacetic acid?
2-cyano-2-phenoxy-2-phenylacetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-phenoxy-2-phenylacetic acid is sourced from PubChem (CID 66769789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).