ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate

C21H20O2 — CID 71517486

IUPACethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H20O2/c1-2-23-21(22)15-20(17-9-4-3-5-10-17)19-14-8-12-16-11-6-7-13-18(16)19/h3-14,20H,2,15H2,1H3/t20-/m0/s1
InChIKeyCAJJAGGJPUELAT-FQEVSTJZSA-N
MW304.39 g/mol
LogP4.92
Rot. Bonds5

About ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate

ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate (PubChem CID 71517486) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
PubChem CID71517486
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Nameethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H20O2/c1-2-23-21(22)15-20(17-9-4-3-5-10-17)19-14-8-12-16-11-6-7-13-18(16)19/h3-14,20H,2,15H2,1H3/t20-/m0/s1
InChIKeyCAJJAGGJPUELAT-FQEVSTJZSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-naphthalen-1-ylpropanoate
CID 46837972
ethyl (4S)-4-naphthalen-1-yl-3-oxohexanoate
CID 129382267
propyl 3-amino-3-naphthalen-1-ylpropanoate
CID 23109941
ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
CID 174829353
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate
CID 131740477
2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine
CID 171986729
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
ethyl 2-cyano-2-naphthalen-1-ylacetate
CID 11031963
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
2-(4-methylphenyl)-4,4-dinaphthalen-1-ylbutanoic acid
CID 77183065

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate?
The IUPAC name of ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate (CID 71517486) is ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate.
What is the SMILES notation for ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate?
The canonical SMILES for ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate is CCOC(=O)C[C@@H](c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate?
The InChIKey is CAJJAGGJPUELAT-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20O2/c1-2-23-21(22)15-20(17-9-4-3-5-10-17)19-14-8-12-16-11-6-7-13-18(16)19/h3-14,20H,2,15H2,1H3/t20-/m0/s1.
What are the key properties of ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate?
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate has a molecular weight of 304.39 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate is sourced from PubChem (CID 71517486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).