(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid

C13H11IO3 — CID 25272767

IUPAC(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
SMILESC[C@@H](Oc1ccc2ccccc2c1I)C(=O)O
InChIInChI=1S/C13H11IO3/c1-8(13(15)16)17-11-7-6-9-4-2-3-5-10(9)12(11)14/h2-8H,1H3,(H,15,16)/t8-/m1/s1
InChIKeyBLZMMFUBMVLNDS-MRVPVSSYSA-N
MW342.13 g/mol
LogP3.30
Rot. Bonds3

About (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid

(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid (PubChem CID 25272767) has the molecular formula C13H11IO3 and a molecular weight of 342.13 g/mol. Its IUPAC name is (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
PubChem CID25272767
Molecular FormulaC13H11IO3
Molecular Weight342.13 g/mol
Exact Mass341.98
IUPAC Name(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
SMILESC[C@@H](Oc1ccc2ccccc2c1I)C(=O)O
InChIInChI=1S/C13H11IO3/c1-8(13(15)16)17-11-7-6-9-4-2-3-5-10(9)12(11)14/h2-8H,1H3,(H,15,16)/t8-/m1/s1
InChIKeyBLZMMFUBMVLNDS-MRVPVSSYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
CID 76914309
2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
CID 140626524
2-(2-chloronaphthalen-1-yl)oxypropanoic acid
CID 154144429
2-[1-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 68773985
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
(2S)-2-(4-nitronaphthalen-1-yl)oxypropanoic acid
CID 98580976
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
2-isoquinolin-8-yloxypropanoic acid
CID 82580347
(2S)-2-[1-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126408699
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
2-(4-iodo-2-methylphenoxy)propanoic acid
CID 152974342

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid?
The IUPAC name of (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid (CID 25272767) is (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid.
What is the SMILES notation for (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid?
The canonical SMILES for (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid is C[C@@H](Oc1ccc2ccccc2c1I)C(=O)O.
What is the InChIKey of (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid?
The InChIKey is BLZMMFUBMVLNDS-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11IO3/c1-8(13(15)16)17-11-7-6-9-4-2-3-5-10(9)12(11)14/h2-8H,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid?
(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid has a molecular weight of 342.13 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid is sourced from PubChem (CID 25272767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).