(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate

C14H13FO5 — CID 70443963

IUPAC(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate
SMILESCOc1cc2ccc(F)cc2c(OC(=O)CO)c1OC
InChIInChI=1S/C14H13FO5/c1-18-11-5-8-3-4-9(15)6-10(8)13(14(11)19-2)20-12(17)7-16/h3-6,16H,7H2,1-2H3
InChIKeyAJHUPOJRKMFILS-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.89
Rot. Bonds4

About (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate

(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate (PubChem CID 70443963) has the molecular formula C14H13FO5 and a molecular weight of 280.25 g/mol. Its IUPAC name is (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate.

Molecular Properties

Compound Name(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate
PubChem CID70443963
Molecular FormulaC14H13FO5
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate
SMILESCOc1cc2ccc(F)cc2c(OC(=O)CO)c1OC
InChIInChI=1S/C14H13FO5/c1-18-11-5-8-3-4-9(15)6-10(8)13(14(11)19-2)20-12(17)7-16/h3-6,16H,7H2,1-2H3
InChIKeyAJHUPOJRKMFILS-UHFFFAOYSA-N
XLogP1.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate?
The IUPAC name of (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate (CID 70443963) is (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate.
What is the SMILES notation for (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate?
The canonical SMILES for (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate is COc1cc2ccc(F)cc2c(OC(=O)CO)c1OC.
What is the InChIKey of (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate?
The InChIKey is AJHUPOJRKMFILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO5/c1-18-11-5-8-3-4-9(15)6-10(8)13(14(11)19-2)20-12(17)7-16/h3-6,16H,7H2,1-2H3.
What are the key properties of (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate?
(7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate has a molecular weight of 280.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dimethoxynaphthalen-1-yl) 2-hydroxyacetate is sourced from PubChem (CID 70443963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).