phenyl 2-(3-chlorophenoxy)acetate

C14H11ClO3 — CID 19179107

IUPACphenyl 2-(3-chlorophenoxy)acetate
SMILESO=C(COc1cccc(Cl)c1)Oc1ccccc1
InChIInChI=1S/C14H11ClO3/c15-11-5-4-8-13(9-11)17-10-14(16)18-12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyIJLGQUIBQKAWLW-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.32
Rot. Bonds4

About phenyl 2-(3-chlorophenoxy)acetate

phenyl 2-(3-chlorophenoxy)acetate (PubChem CID 19179107) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is phenyl 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Namephenyl 2-(3-chlorophenoxy)acetate
PubChem CID19179107
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Namephenyl 2-(3-chlorophenoxy)acetate
SMILESO=C(COc1cccc(Cl)c1)Oc1ccccc1
InChIInChI=1S/C14H11ClO3/c15-11-5-4-8-13(9-11)17-10-14(16)18-12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyIJLGQUIBQKAWLW-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl) 2-(3-acetylphenoxy)acetate
CID 78777152
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-[(3-chlorophenoxy)methyl]prop-2-enoic acid;hydrochloride
CID 70511499
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
(propan-2-ylideneamino) 2-(3-chlorophenoxy)acetate
CID 88596489
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
(E)-4-(3-chlorophenoxy)-3-methylbut-2-enoic acid
CID 63775220
1-(3-chlorophenoxy)-3-(triphenyl-λ5-phosphanylidene)propan-2-one
CID 22629947
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
4-[2-(3-methylphenoxy)acetyl]oxybenzoic acid
CID 54855270
CID 131885829
CID 131885829
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(3-chlorophenoxy)acetate?
The IUPAC name of phenyl 2-(3-chlorophenoxy)acetate (CID 19179107) is phenyl 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for phenyl 2-(3-chlorophenoxy)acetate?
The canonical SMILES for phenyl 2-(3-chlorophenoxy)acetate is O=C(COc1cccc(Cl)c1)Oc1ccccc1.
What is the InChIKey of phenyl 2-(3-chlorophenoxy)acetate?
The InChIKey is IJLGQUIBQKAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-11-5-4-8-13(9-11)17-10-14(16)18-12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of phenyl 2-(3-chlorophenoxy)acetate?
phenyl 2-(3-chlorophenoxy)acetate has a molecular weight of 262.69 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 19179107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).