ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate

C15H16O3 — CID 13023961

IUPACethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O3/c1-2-18-15(17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,2,10H2,1H3/t14-/m0/s1
InChIKeyDRKARYGAPHBBBG-AWEZNQCLSA-N
MW244.29 g/mol
LogP2.83
Rot. Bonds4

About ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate

ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate (PubChem CID 13023961) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
PubChem CID13023961
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O3/c1-2-18-15(17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,2,10H2,1H3/t14-/m0/s1
InChIKeyDRKARYGAPHBBBG-AWEZNQCLSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493
ethyl (E,5S)-5-hydroxy-2-methyl-5-naphthalen-2-ylpent-2-enoate
CID 12024300
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate
CID 54362381
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate?
The IUPAC name of ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate (CID 13023961) is ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate?
The canonical SMILES for ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate is CCOC(=O)C[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate?
The InChIKey is DRKARYGAPHBBBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-18-15(17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,2,10H2,1H3/t14-/m0/s1.
What are the key properties of ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate?
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 13023961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).