2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid

C15H10ClNO3 — CID 80742621

IUPAC2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
SMILESN#Cc1cc(Cl)ccc1Oc1ccccc1CC(=O)O
InChIInChI=1S/C15H10ClNO3/c16-12-5-6-14(11(7-12)9-17)20-13-4-2-1-3-10(13)8-15(18)19/h1-7H,8H2,(H,18,19)
InChIKeyBDTRCCQRGVTDHD-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.63
Rot. Bonds4

About 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid

2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid (PubChem CID 80742621) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
PubChem CID80742621
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
SMILESN#Cc1cc(Cl)ccc1Oc1ccccc1CC(=O)O
InChIInChI=1S/C15H10ClNO3/c16-12-5-6-14(11(7-12)9-17)20-13-4-2-1-3-10(13)8-15(18)19/h1-7H,8H2,(H,18,19)
InChIKeyBDTRCCQRGVTDHD-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-[2-[(4-chloro-2-cyanoanilino)methyl]phenyl]acetic acid
CID 81312382
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
CID 22661881
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
CID 114322427
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
2-(5-chloro-2-iodophenoxy)benzonitrile
CID 142659292
bis(2-[3-(aminomethyl)-2-ethylphenoxy]-4-chlorobenzonitrile);(E)-but-2-enedioic acid
CID 131725985
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911
5-amino-2-(2-ethylphenoxy)benzonitrile
CID 61295805
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid (CID 80742621) is 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid is N#Cc1cc(Cl)ccc1Oc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid?
The InChIKey is BDTRCCQRGVTDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-12-5-6-14(11(7-12)9-17)20-13-4-2-1-3-10(13)8-15(18)19/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid?
2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid has a molecular weight of 287.70 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid is sourced from PubChem (CID 80742621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).