2-(2-chloronaphthalen-1-yl)oxypropanoic acid

C13H11ClO3 — CID 154144429

IUPAC2-(2-chloronaphthalen-1-yl)oxypropanoic acid
SMILESCC(Oc1c(Cl)ccc2ccccc12)C(=O)O
InChIInChI=1S/C13H11ClO3/c1-8(13(15)16)17-12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8H,1H3,(H,15,16)
InChIKeyIDBCPAFJDPEJHU-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-chloronaphthalen-1-yl)oxypropanoic acid

2-(2-chloronaphthalen-1-yl)oxypropanoic acid (PubChem CID 154144429) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-(2-chloronaphthalen-1-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-(2-chloronaphthalen-1-yl)oxypropanoic acid
PubChem CID154144429
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name2-(2-chloronaphthalen-1-yl)oxypropanoic acid
SMILESCC(Oc1c(Cl)ccc2ccccc12)C(=O)O
InChIInChI=1S/C13H11ClO3/c1-8(13(15)16)17-12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8H,1H3,(H,15,16)
InChIKeyIDBCPAFJDPEJHU-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
CID 140626524
(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
CID 25272767
2-[1-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 68773985
2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
CID 76914309
bis(2-chloronaphthalen-1-yl) carbonate;dinaphthalen-1-yl carbonate
CID 70561468
ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
CID 125497694
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
CID 78933491
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
CID 115956267

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloronaphthalen-1-yl)oxypropanoic acid?
The IUPAC name of 2-(2-chloronaphthalen-1-yl)oxypropanoic acid (CID 154144429) is 2-(2-chloronaphthalen-1-yl)oxypropanoic acid.
What is the SMILES notation for 2-(2-chloronaphthalen-1-yl)oxypropanoic acid?
The canonical SMILES for 2-(2-chloronaphthalen-1-yl)oxypropanoic acid is CC(Oc1c(Cl)ccc2ccccc12)C(=O)O.
What is the InChIKey of 2-(2-chloronaphthalen-1-yl)oxypropanoic acid?
The InChIKey is IDBCPAFJDPEJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-8(13(15)16)17-12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(2-chloronaphthalen-1-yl)oxypropanoic acid?
2-(2-chloronaphthalen-1-yl)oxypropanoic acid has a molecular weight of 250.68 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloronaphthalen-1-yl)oxypropanoic acid is sourced from PubChem (CID 154144429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).