2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid

C15H10ClNO3 — CID 114322427

IUPAC2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
SMILESN#Cc1ccc(Cl)cc1OCc1ccccc1C(=O)O
InChIInChI=1S/C15H10ClNO3/c16-12-6-5-10(8-17)14(7-12)20-9-11-3-1-2-4-13(11)15(18)19/h1-7H,9H2,(H,18,19)
InChIKeyYCQFZORNWCKKQJ-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.49
Rot. Bonds4

About 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid

2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid (PubChem CID 114322427) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
PubChem CID114322427
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
SMILESN#Cc1ccc(Cl)cc1OCc1ccccc1C(=O)O
InChIInChI=1S/C15H10ClNO3/c16-12-6-5-10(8-17)14(7-12)20-9-11-3-1-2-4-13(11)15(18)19/h1-7H,9H2,(H,18,19)
InChIKeyYCQFZORNWCKKQJ-UHFFFAOYSA-N
XLogP3.49
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460814
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
CID 143555960
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
2-[(5-chloro-2-cyanoanilino)methyl]benzoic acid
CID 103252963
3-chloro-4-[(2-cyanophenyl)methoxy]benzoic acid
CID 45286796
4-chloro-2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 114323741
4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102663354
2-cyano-5-[(2,4-dichlorophenoxy)methyl]benzoic acid
CID 155153991
4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid
CID 67479312
4-chloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107349534
3-[(5-chloro-2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 114324023

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid?
The IUPAC name of 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid (CID 114322427) is 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid?
The canonical SMILES for 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid is N#Cc1ccc(Cl)cc1OCc1ccccc1C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid?
The InChIKey is YCQFZORNWCKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-12-6-5-10(8-17)14(7-12)20-9-11-3-1-2-4-13(11)15(18)19/h1-7H,9H2,(H,18,19).
What are the key properties of 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid?
2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid has a molecular weight of 287.70 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid is sourced from PubChem (CID 114322427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).