ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate

C15H19BrO3 — CID 166942836

IUPACethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OC(C)/C=C(\C)Br
InChIInChI=1S/C15H19BrO3/c1-4-18-15(17)10-13-7-5-6-8-14(13)19-12(3)9-11(2)16/h5-9,12H,4,10H2,1-3H3/b11-9+
InChIKeyMFKXIUCMTFLPBL-PKNBQFBNSA-N
MW327.22 g/mol
LogP3.86
Rot. Bonds6

About ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate

ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate (PubChem CID 166942836) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate
PubChem CID166942836
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Nameethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OC(C)/C=C(\C)Br
InChIInChI=1S/C15H19BrO3/c1-4-18-15(17)10-13-7-5-6-8-14(13)19-12(3)9-11(2)16/h5-9,12H,4,10H2,1-3H3/b11-9+
InChIKeyMFKXIUCMTFLPBL-PKNBQFBNSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174487319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate?
The IUPAC name of ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate (CID 166942836) is ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate?
The canonical SMILES for ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate is CCOC(=O)Cc1ccccc1OC(C)/C=C(\C)Br.
What is the InChIKey of ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate?
The InChIKey is MFKXIUCMTFLPBL-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-4-18-15(17)10-13-7-5-6-8-14(13)19-12(3)9-11(2)16/h5-9,12H,4,10H2,1-3H3/b11-9+.
What are the key properties of ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate?
ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate has a molecular weight of 327.22 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate is sourced from PubChem (CID 166942836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).