naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate

C18H12ClFO3 — CID 18204972

IUPACnaphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1Cl)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H12ClFO3/c19-16-10-14(20)6-8-17(16)22-11-18(21)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2
InChIKeyFRZLDRMTTFVWMD-UHFFFAOYSA-N
MW330.74 g/mol
LogP4.62
Rot. Bonds4

About naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate

naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate (PubChem CID 18204972) has the molecular formula C18H12ClFO3 and a molecular weight of 330.74 g/mol. Its IUPAC name is naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate
PubChem CID18204972
Molecular FormulaC18H12ClFO3
Molecular Weight330.74 g/mol
Exact Mass330.05
IUPAC Namenaphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1Cl)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H12ClFO3/c19-16-10-14(20)6-8-17(16)22-11-18(21)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2
InChIKeyFRZLDRMTTFVWMD-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 54.62
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

naphthalen-1-yl 2-(2-chloro-4-fluorophenoxy)acetate
CID 18226934
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
(2-cyanophenyl) 2-(2-chloro-4-fluorophenoxy)acetate
CID 18286354
(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 8921423
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
1,3-benzodioxol-5-yl 2-(2-chlorophenoxy)acetate
CID 8766455
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4632609
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate?
The IUPAC name of naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate (CID 18204972) is naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate.
What is the SMILES notation for naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate?
The canonical SMILES for naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate is O=C(COc1ccc(F)cc1Cl)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate?
The InChIKey is FRZLDRMTTFVWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO3/c19-16-10-14(20)6-8-17(16)22-11-18(21)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2.
What are the key properties of naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate?
naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate has a molecular weight of 330.74 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate is sourced from PubChem (CID 18204972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).