2-(4-chloronaphthalen-1-yl)oxyacetate

C12H8ClO3- — CID 6995020

IUPAC2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C([O-])COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C12H9ClO3/c13-10-5-6-11(16-7-12(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)/p-1
InChIKeyMNLRUNHEJYLLBJ-UHFFFAOYSA-M
MW235.65 g/mol
LogP1.62
Rot. Bonds3

About 2-(4-chloronaphthalen-1-yl)oxyacetate

2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 6995020) has the molecular formula C12H8ClO3- and a molecular weight of 235.65 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID6995020
Molecular FormulaC12H8ClO3-
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C([O-])COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C12H9ClO3/c13-10-5-6-11(16-7-12(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)/p-1
InChIKeyMNLRUNHEJYLLBJ-UHFFFAOYSA-M
XLogP1.62
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
CID 31364839
3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid
CID 43169570

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 6995020) is 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxyacetate is O=C([O-])COc1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is MNLRUNHEJYLLBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9ClO3/c13-10-5-6-11(16-7-12(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)/p-1.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxyacetate?
2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 235.65 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 6995020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).