ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate

C15H15BrO3 — CID 57054525

IUPACethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
SMILESCCOC(=O)[C@H](C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15BrO3/c1-3-18-15(17)10(2)19-14-7-5-11-8-13(16)6-4-12(11)9-14/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyUOIHWYXFMQCGRC-JTQLQIEISA-N
MW323.19 g/mol
LogP3.93
Rot. Bonds4

About ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate

ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate (PubChem CID 57054525) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
PubChem CID57054525
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Nameethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
SMILESCCOC(=O)[C@H](C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15BrO3/c1-3-18-15(17)10(2)19-14-7-5-11-8-13(16)6-4-12(11)9-14/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyUOIHWYXFMQCGRC-JTQLQIEISA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745
2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 15582785
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2R)-2-(4-bromo-3-formylphenoxy)propanoate
CID 976960
ethyl 2-[4-[(5-bromo-1,3-benzoxazol-2-yl)-methylamino]phenoxy]propanoate
CID 20553522
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
CID 59993707
CID 59993707

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate?
The IUPAC name of ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate (CID 57054525) is ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate?
The canonical SMILES for ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate is CCOC(=O)[C@H](C)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate?
The InChIKey is UOIHWYXFMQCGRC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrO3/c1-3-18-15(17)10(2)19-14-7-5-11-8-13(16)6-4-12(11)9-14/h4-10H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate?
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate has a molecular weight of 323.19 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate is sourced from PubChem (CID 57054525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).