ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate

C17H17BrO3 — CID 43365328

IUPACethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrO3/c1-2-20-17(19)11-12-21-16-9-5-14(6-10-16)13-3-7-15(18)8-4-13/h3-10H,2,11-12H2,1H3
InChIKeyVNNCOWOPCWBWBV-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.45
Rot. Bonds6

About ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate

ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate (PubChem CID 43365328) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
PubChem CID43365328
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Nameethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrO3/c1-2-20-17(19)11-12-21-16-9-5-14(6-10-16)13-3-7-15(18)8-4-13/h3-10H,2,11-12H2,1H3
InChIKeyVNNCOWOPCWBWBV-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
6-[4-(4-bromophenyl)phenoxy]hexan-2-one
CID 62033076
10-O-[2-(4-bromophenoxy)ethyl] 1-O-propyl decanedioate
CID 91740180
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 57099582
ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
CID 174425410
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021
ethyl 3-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 57232217
(4-bromophenyl) 4-(4-methylphenoxy)butanoate
CID 19184274
ethyl 3-[4-[1,1-bis[4-(2-ethoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]propanoate
CID 25126559

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate (CID 43365328) is ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate is CCOC(=O)CCOc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate?
The InChIKey is VNNCOWOPCWBWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-2-20-17(19)11-12-21-16-9-5-14(6-10-16)13-3-7-15(18)8-4-13/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate?
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate has a molecular weight of 349.22 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate is sourced from PubChem (CID 43365328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).