ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate

C15H19FO3 — CID 70809294

IUPACethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)C1(O)CCCc2c(F)cccc21
InChIInChI=1S/C15H19FO3/c1-3-19-14(17)10(2)15(18)9-5-6-11-12(15)7-4-8-13(11)16/h4,7-8,10,18H,3,5-6,9H2,1-2H3
InChIKeyBLPALEYCCNHPIW-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.55
Rot. Bonds3

About ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate

ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate (PubChem CID 70809294) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
PubChem CID70809294
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)C1(O)CCCc2c(F)cccc21
InChIInChI=1S/C15H19FO3/c1-3-19-14(17)10(2)15(18)9-5-6-11-12(15)7-4-8-13(11)16/h4,7-8,10,18H,3,5-6,9H2,1-2H3
InChIKeyBLPALEYCCNHPIW-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
The IUPAC name of ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate (CID 70809294) is ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
The canonical SMILES for ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate is CCOC(=O)C(C)C1(O)CCCc2c(F)cccc21.
What is the InChIKey of ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
The InChIKey is BLPALEYCCNHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-3-19-14(17)10(2)15(18)9-5-6-11-12(15)7-4-8-13(11)16/h4,7-8,10,18H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate has a molecular weight of 266.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate is sourced from PubChem (CID 70809294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).