ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate

C15H16O3 — CID 12896398

IUPACethyl 3-(2-hydroxynaphthalen-1-yl)propanoate
SMILESCCOC(=O)CCc1c(O)ccc2ccccc12
InChIInChI=1S/C15H16O3/c1-2-18-15(17)10-8-13-12-6-4-3-5-11(12)7-9-14(13)16/h3-7,9,16H,2,8,10H2,1H3
InChIKeyXMDWWINSHHXXMG-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.04
Rot. Bonds4

About ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate

ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate (PubChem CID 12896398) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxynaphthalen-1-yl)propanoate
PubChem CID12896398
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameethyl 3-(2-hydroxynaphthalen-1-yl)propanoate
SMILESCCOC(=O)CCc1c(O)ccc2ccccc12
InChIInChI=1S/C15H16O3/c1-2-18-15(17)10-8-13-12-6-4-3-5-11(12)7-9-14(13)16/h3-7,9,16H,2,8,10H2,1H3
InChIKeyXMDWWINSHHXXMG-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate?
The IUPAC name of ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate (CID 12896398) is ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate is CCOC(=O)CCc1c(O)ccc2ccccc12.
What is the InChIKey of ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate?
The InChIKey is XMDWWINSHHXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-18-15(17)10-8-13-12-6-4-3-5-11(12)7-9-14(13)16/h3-7,9,16H,2,8,10H2,1H3.
What are the key properties of ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate?
ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate has a molecular weight of 244.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxynaphthalen-1-yl)propanoate is sourced from PubChem (CID 12896398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).