2-(7-chloronaphthalen-2-yl)oxyacetic acid

C12H9ClO3 — CID 154365176

IUPAC2-(7-chloronaphthalen-2-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2ccc(Cl)cc2c1
InChIInChI=1S/C12H9ClO3/c13-10-3-1-8-2-4-11(6-9(8)5-10)16-7-12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyLTAHGMMYRNXSSM-UHFFFAOYSA-N
MW236.65 g/mol
LogP2.96
Rot. Bonds3

About 2-(7-chloronaphthalen-2-yl)oxyacetic acid

2-(7-chloronaphthalen-2-yl)oxyacetic acid (PubChem CID 154365176) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is 2-(7-chloronaphthalen-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(7-chloronaphthalen-2-yl)oxyacetic acid
PubChem CID154365176
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Name2-(7-chloronaphthalen-2-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2ccc(Cl)cc2c1
InChIInChI=1S/C12H9ClO3/c13-10-3-1-8-2-4-11(6-9(8)5-10)16-7-12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyLTAHGMMYRNXSSM-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid
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2-[6-(bromomethyl)naphthalen-2-yl]oxyacetic acid
CID 69228265
CID 58656003
CID 58656003
2-(7-methylnaphthalen-2-yl)oxyacetyl chloride
CID 139664130
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloronaphthalen-2-yl)oxyacetic acid?
The IUPAC name of 2-(7-chloronaphthalen-2-yl)oxyacetic acid (CID 154365176) is 2-(7-chloronaphthalen-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(7-chloronaphthalen-2-yl)oxyacetic acid?
The canonical SMILES for 2-(7-chloronaphthalen-2-yl)oxyacetic acid is O=C(O)COc1ccc2ccc(Cl)cc2c1.
What is the InChIKey of 2-(7-chloronaphthalen-2-yl)oxyacetic acid?
The InChIKey is LTAHGMMYRNXSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c13-10-3-1-8-2-4-11(6-9(8)5-10)16-7-12(14)15/h1-6H,7H2,(H,14,15).
What are the key properties of 2-(7-chloronaphthalen-2-yl)oxyacetic acid?
2-(7-chloronaphthalen-2-yl)oxyacetic acid has a molecular weight of 236.65 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloronaphthalen-2-yl)oxyacetic acid is sourced from PubChem (CID 154365176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).