ethyl 3-(3-chloronaphthalen-1-yl)propanoate

C15H15ClO2 — CID 175159774

IUPACethyl 3-(3-chloronaphthalen-1-yl)propanoate
SMILESCCOC(=O)CCc1cc(Cl)cc2ccccc12
InChIInChI=1S/C15H15ClO2/c1-2-18-15(17)8-7-12-10-13(16)9-11-5-3-4-6-14(11)12/h3-6,9-10H,2,7-8H2,1H3
InChIKeyVDLOURGCEGRUGX-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.99
Rot. Bonds4

About ethyl 3-(3-chloronaphthalen-1-yl)propanoate

ethyl 3-(3-chloronaphthalen-1-yl)propanoate (PubChem CID 175159774) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is ethyl 3-(3-chloronaphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-chloronaphthalen-1-yl)propanoate
PubChem CID175159774
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Nameethyl 3-(3-chloronaphthalen-1-yl)propanoate
SMILESCCOC(=O)CCc1cc(Cl)cc2ccccc12
InChIInChI=1S/C15H15ClO2/c1-2-18-15(17)8-7-12-10-13(16)9-11-5-3-4-6-14(11)12/h3-6,9-10H,2,7-8H2,1H3
InChIKeyVDLOURGCEGRUGX-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[5-chloro-3-methoxy-2-(2-phenylethoxy)phenyl]propanoate
CID 10690059
ethyl 3-(1-phenylindol-3-yl)propanoate
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ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979
ethyl 5-naphthalen-1-yl-4-nitropentanoate
CID 597474
ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
CID 174829353
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate
CID 20516656
ethyl 4-chloro-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134643165
ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate
CID 169229845
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate
CID 78877457

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloronaphthalen-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-chloronaphthalen-1-yl)propanoate (CID 175159774) is ethyl 3-(3-chloronaphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-chloronaphthalen-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-chloronaphthalen-1-yl)propanoate is CCOC(=O)CCc1cc(Cl)cc2ccccc12.
What is the InChIKey of ethyl 3-(3-chloronaphthalen-1-yl)propanoate?
The InChIKey is VDLOURGCEGRUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-2-18-15(17)8-7-12-10-13(16)9-11-5-3-4-6-14(11)12/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of ethyl 3-(3-chloronaphthalen-1-yl)propanoate?
ethyl 3-(3-chloronaphthalen-1-yl)propanoate has a molecular weight of 262.74 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chloronaphthalen-1-yl)propanoate is sourced from PubChem (CID 175159774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).