naphthalen-2-yl 2-hydroxypropanoate

C13H12O3 — CID 7140

IUPACnaphthalen-2-yl 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C13H12O3/c1-9(14)13(15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14H,1H3
InChIKeyRTXHNOBSQMHTSB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.13
Rot. Bonds2

About naphthalen-2-yl 2-hydroxypropanoate

naphthalen-2-yl 2-hydroxypropanoate (PubChem CID 7140) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is naphthalen-2-yl 2-hydroxypropanoate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-hydroxypropanoate
PubChem CID7140
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namenaphthalen-2-yl 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C13H12O3/c1-9(14)13(15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14H,1H3
InChIKeyRTXHNOBSQMHTSB-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-hydroxypropanoate?
The IUPAC name of naphthalen-2-yl 2-hydroxypropanoate (CID 7140) is naphthalen-2-yl 2-hydroxypropanoate.
What is the SMILES notation for naphthalen-2-yl 2-hydroxypropanoate?
The canonical SMILES for naphthalen-2-yl 2-hydroxypropanoate is CC(O)C(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 2-hydroxypropanoate?
The InChIKey is RTXHNOBSQMHTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9(14)13(15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14H,1H3.
What are the key properties of naphthalen-2-yl 2-hydroxypropanoate?
naphthalen-2-yl 2-hydroxypropanoate has a molecular weight of 216.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-hydroxypropanoate is sourced from PubChem (CID 7140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).