amino 2-[2-(4-chlorophenoxy)phenyl]acetate

C14H12ClNO3 — CID 66824654

IUPACamino 2-[2-(4-chlorophenoxy)phenyl]acetate
SMILESNOC(=O)Cc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(17)19-16/h1-8H,9,16H2
InChIKeyAACRZMXJRJXQRC-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.09
Rot. Bonds4

About amino 2-[2-(4-chlorophenoxy)phenyl]acetate

amino 2-[2-(4-chlorophenoxy)phenyl]acetate (PubChem CID 66824654) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is amino 2-[2-(4-chlorophenoxy)phenyl]acetate.

Molecular Properties

Compound Nameamino 2-[2-(4-chlorophenoxy)phenyl]acetate
PubChem CID66824654
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Nameamino 2-[2-(4-chlorophenoxy)phenyl]acetate
SMILESNOC(=O)Cc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(17)19-16/h1-8H,9,16H2
InChIKeyAACRZMXJRJXQRC-UHFFFAOYSA-N
XLogP3.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
CID 22998022
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
(2S)-2-amino-4-[bis[[2-(4-chlorophenoxy)phenyl]methyl]amino]butanoic acid
CID 127035812
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide
CID 66573934
[2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate
CID 88828193
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171

Frequently Asked Questions

What is the IUPAC name of amino 2-[2-(4-chlorophenoxy)phenyl]acetate?
The IUPAC name of amino 2-[2-(4-chlorophenoxy)phenyl]acetate (CID 66824654) is amino 2-[2-(4-chlorophenoxy)phenyl]acetate.
What is the SMILES notation for amino 2-[2-(4-chlorophenoxy)phenyl]acetate?
The canonical SMILES for amino 2-[2-(4-chlorophenoxy)phenyl]acetate is NOC(=O)Cc1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of amino 2-[2-(4-chlorophenoxy)phenyl]acetate?
The InChIKey is AACRZMXJRJXQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(17)19-16/h1-8H,9,16H2.
What are the key properties of amino 2-[2-(4-chlorophenoxy)phenyl]acetate?
amino 2-[2-(4-chlorophenoxy)phenyl]acetate has a molecular weight of 277.71 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-[2-(4-chlorophenoxy)phenyl]acetate is sourced from PubChem (CID 66824654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).