ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate

C20H24O3 — CID 170452725

IUPACethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
SMILESCCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C20H24O3/c1-2-22-20(21)17(14-18-10-6-12-23-18)13-16-9-5-8-15-7-3-4-11-19(15)16/h3-5,7-9,11,17-18H,2,6,10,12-14H2,1H3
InChIKeyGSKUCTALGZTWGS-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.13
Rot. Bonds6

About ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate

ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate (PubChem CID 170452725) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
PubChem CID170452725
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Nameethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
SMILESCCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C20H24O3/c1-2-22-20(21)17(14-18-10-6-12-23-18)13-16-9-5-8-15-7-3-4-11-19(15)16/h3-5,7-9,11,17-18H,2,6,10,12-14H2,1H3
InChIKeyGSKUCTALGZTWGS-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium
CID 5113288
diethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;4-hydroxy-4-oxobut-2-enoate
CID 18543
N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine;2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 174805884
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 35526797
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 35526794
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 43907567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The IUPAC name of ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate (CID 170452725) is ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The canonical SMILES for ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate is CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.
What is the InChIKey of ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The InChIKey is GSKUCTALGZTWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-2-22-20(21)17(14-18-10-6-12-23-18)13-16-9-5-8-15-7-3-4-11-19(15)16/h3-5,7-9,11,17-18H,2,6,10,12-14H2,1H3.
What are the key properties of ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate has a molecular weight of 312.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate is sourced from PubChem (CID 170452725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).