ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate

C16H18O3 — CID 125497694

IUPACethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1c(C)ccc2ccccc12
InChIInChI=1S/C16H18O3/c1-4-18-16(17)12(3)19-15-11(2)9-10-13-7-5-6-8-14(13)15/h5-10,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyCFZOWCHEVDBGHD-GFCCVEGCSA-N
MW258.32 g/mol
LogP3.48
Rot. Bonds4

About ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate

ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate (PubChem CID 125497694) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
PubChem CID125497694
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nameethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1c(C)ccc2ccccc12
InChIInChI=1S/C16H18O3/c1-4-18-16(17)12(3)19-15-11(2)9-10-13-7-5-6-8-14(13)15/h5-10,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyCFZOWCHEVDBGHD-GFCCVEGCSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
ethyl acetate;phenanthrene
CID 160726264
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
CID 140626524
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
2-(2-chloronaphthalen-1-yl)oxypropanoic acid
CID 154144429

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate?
The IUPAC name of ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate (CID 125497694) is ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate.
What is the SMILES notation for ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate?
The canonical SMILES for ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate is CCOC(=O)[C@@H](C)Oc1c(C)ccc2ccccc12.
What is the InChIKey of ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate?
The InChIKey is CFZOWCHEVDBGHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-18-16(17)12(3)19-15-11(2)9-10-13-7-5-6-8-14(13)15/h5-10,12H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate?
ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate has a molecular weight of 258.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate is sourced from PubChem (CID 125497694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).