ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate

C14H17FO3 — CID 23293598

IUPACethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCCOC(=O)CC1(O)CCCc2ccc(F)cc21
InChIInChI=1S/C14H17FO3/c1-2-18-13(16)9-14(17)7-3-4-10-5-6-11(15)8-12(10)14/h5-6,8,17H,2-4,7,9H2,1H3
InChIKeyGMWRACWIWOPYBI-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.30
Rot. Bonds3

About ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate

ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate (PubChem CID 23293598) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate
PubChem CID23293598
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Nameethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCCOC(=O)CC1(O)CCCc2ccc(F)cc21
InChIInChI=1S/C14H17FO3/c1-2-18-13(16)9-14(17)7-3-4-10-5-6-11(15)8-12(10)14/h5-6,8,17H,2-4,7,9H2,1H3
InChIKeyGMWRACWIWOPYBI-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chloro-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetate
CID 10978626
ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate
CID 116532301
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 174154255
ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate
CID 14773401
ethyl 2-[(2S,4R)-6-fluoro-4-hydroxy-2-phenyl-2,3-dihydrochromen-4-yl]acetate
CID 70377758
ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234108
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105438538
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol
CID 82024150
ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
CID 57318910

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The IUPAC name of ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate (CID 23293598) is ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate.
What is the SMILES notation for ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The canonical SMILES for ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate is CCOC(=O)CC1(O)CCCc2ccc(F)cc21.
What is the InChIKey of ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The InChIKey is GMWRACWIWOPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-2-18-13(16)9-14(17)7-3-4-10-5-6-11(15)8-12(10)14/h5-6,8,17H,2-4,7,9H2,1H3.
What are the key properties of ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate?
ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate has a molecular weight of 252.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate is sourced from PubChem (CID 23293598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).