2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid

C16H13NO4 — CID 70080910

IUPAC2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
SMILESN#Cc1ccc(OCc2ccccc2)cc1OCC(=O)O
InChIInChI=1S/C16H13NO4/c17-9-13-6-7-14(8-15(13)21-11-16(18)19)20-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,18,19)
InChIKeyMHUVWRKIPQUFLN-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.60
Rot. Bonds6

About 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid

2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid (PubChem CID 70080910) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
PubChem CID70080910
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
SMILESN#Cc1ccc(OCc2ccccc2)cc1OCC(=O)O
InChIInChI=1S/C16H13NO4/c17-9-13-6-7-14(8-15(13)21-11-16(18)19)20-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,18,19)
InChIKeyMHUVWRKIPQUFLN-UHFFFAOYSA-N
XLogP2.60
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
CID 54227701
4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile
CID 173309664
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
2-[2-cyano-4-(phenylmethoxycarbonylamino)phenoxy]acetic acid
CID 23062611
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide
CID 168523947
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-[2-[(4-cyano-3-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460804
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid?
The IUPAC name of 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid (CID 70080910) is 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid is N#Cc1ccc(OCc2ccccc2)cc1OCC(=O)O.
What is the InChIKey of 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid?
The InChIKey is MHUVWRKIPQUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c17-9-13-6-7-14(8-15(13)21-11-16(18)19)20-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,18,19).
What are the key properties of 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid?
2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid has a molecular weight of 283.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid is sourced from PubChem (CID 70080910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).