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

C13H12O4 — CID 140626524

IUPAC2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
SMILESCC(Oc1c(O)ccc2ccccc12)C(=O)O
InChIInChI=1S/C13H12O4/c1-8(13(15)16)17-12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,14H,1H3,(H,15,16)
InChIKeyDSGZXUULDPIBAU-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.40
Rot. Bonds3

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

2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid (PubChem CID 140626524) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
PubChem CID140626524
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
SMILESCC(Oc1c(O)ccc2ccccc12)C(=O)O
InChIInChI=1S/C13H12O4/c1-8(13(15)16)17-12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,14H,1H3,(H,15,16)
InChIKeyDSGZXUULDPIBAU-UHFFFAOYSA-N
XLogP2.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloronaphthalen-1-yl)oxypropanoic acid
CID 154144429
(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium
CID 175519096
(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
CID 25272767
(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium
CID 91550441
2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
CID 76914309
ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
CID 125497694
1-phenoxynaphthalen-2-ol
CID 5271325
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
CID 78933491
2-[1-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 68773985

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid?
The IUPAC name of 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid (CID 140626524) is 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid.
What is the SMILES notation for 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid?
The canonical SMILES for 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid is CC(Oc1c(O)ccc2ccccc12)C(=O)O.
What is the InChIKey of 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid?
The InChIKey is DSGZXUULDPIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-8(13(15)16)17-12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,14H,1H3,(H,15,16).
What are the key properties of 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid?
2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid is sourced from PubChem (CID 140626524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).