ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate

C17H26O3 — CID 125497853

IUPACethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
SMILESCCCc1cccc(CCC)c1O[C@@H](C)C(=O)OCC
InChIInChI=1S/C17H26O3/c1-5-9-14-11-8-12-15(10-6-2)16(14)20-13(4)17(18)19-7-3/h8,11-13H,5-7,9-10H2,1-4H3/t13-/m0/s1
InChIKeyVCNZGXNCIXUGHD-ZDUSSCGKSA-N
MW278.39 g/mol
LogP3.92
Rot. Bonds8

About ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate

ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate (PubChem CID 125497853) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
PubChem CID125497853
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
SMILESCCCc1cccc(CCC)c1O[C@@H](C)C(=O)OCC
InChIInChI=1S/C17H26O3/c1-5-9-14-11-8-12-15(10-6-2)16(14)20-13(4)17(18)19-7-3/h8,11-13H,5-7,9-10H2,1-4H3/t13-/m0/s1
InChIKeyVCNZGXNCIXUGHD-ZDUSSCGKSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
CID 125497694
ethyl 2-(2-propyl-4-sulfanylphenoxy)propanoate
CID 21109488
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol
CID 145498859
ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
2-ethoxy-1,3-dipropylbenzene
CID 14665558
ethyl 2-amino-3-propylbenzoate
CID 60835647
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate?
The IUPAC name of ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate (CID 125497853) is ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate?
The canonical SMILES for ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate is CCCc1cccc(CCC)c1O[C@@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate?
The InChIKey is VCNZGXNCIXUGHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-9-14-11-8-12-15(10-6-2)16(14)20-13(4)17(18)19-7-3/h8,11-13H,5-7,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate?
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate has a molecular weight of 278.39 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate is sourced from PubChem (CID 125497853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).