ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate

C21H20O3 — CID 10829517

IUPACethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
SMILESCCOC(=O)CCc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20O3/c1-2-23-21(22)14-9-16-7-11-19(12-8-16)24-20-13-10-17-5-3-4-6-18(17)15-20/h3-8,10-13,15H,2,9,14H2,1H3
InChIKeyDDZQOCLEEIZYNJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.13
Rot. Bonds6

About ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate

ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate (PubChem CID 10829517) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
PubChem CID10829517
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Nameethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
SMILESCCOC(=O)CCc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20O3/c1-2-23-21(22)14-9-16-7-11-19(12-8-16)24-20-13-10-17-5-3-4-6-18(17)15-20/h3-8,10-13,15H,2,9,14H2,1H3
InChIKeyDDZQOCLEEIZYNJ-UHFFFAOYSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethyl 5-[4-(3-methylphenoxy)phenyl]pentanoate
CID 139655795
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
[4-(3-ethoxy-3-oxopropyl)phenoxy]boronic acid
CID 67296509
ethyl 3-[4-(4-nitrophenoxy)phenyl]propanoate;1-fluoro-4-nitrobenzene
CID 159201025
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
ethyl 3-[3-(3-amino-3-oxopropyl)-5-(4-fluorophenoxy)phenyl]propanoate
CID 139720628
ethyl 3-[4-[(2R)-2-(cyclodecapentaenyl)-2-hydroxyethoxy]phenyl]propanoate
CID 144781228
2-[4-[4-(3-ethoxy-3-oxopropyl)phenoxy]phenyl]-3-pyridin-3-ylpropanoic acid
CID 59645402
ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate
CID 71497129

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate?
The IUPAC name of ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate (CID 10829517) is ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate is CCOC(=O)CCc1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate?
The InChIKey is DDZQOCLEEIZYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-2-23-21(22)14-9-16-7-11-19(12-8-16)24-20-13-10-17-5-3-4-6-18(17)15-20/h3-8,10-13,15H,2,9,14H2,1H3.
What are the key properties of ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate?
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate has a molecular weight of 320.39 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate is sourced from PubChem (CID 10829517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).