(2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate

C18H17BrO4 — CID 19206569

IUPAC(2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1OC(=O)/C=C/c1cc(Br)ccc1OC
InChIInChI=1S/C18H17BrO4/c1-3-22-16-6-4-5-7-17(16)23-18(20)11-8-13-12-14(19)9-10-15(13)21-2/h4-12H,3H2,1-2H3/b11-8+
InChIKeyJUJKNLCHQGVREL-DHZHZOJOSA-N
MW377.23 g/mol
LogP4.48
Rot. Bonds6

About (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate

(2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate (PubChem CID 19206569) has the molecular formula C18H17BrO4 and a molecular weight of 377.23 g/mol. Its IUPAC name is (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
PubChem CID19206569
Molecular FormulaC18H17BrO4
Molecular Weight377.23 g/mol
Exact Mass376.03
IUPAC Name(2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1OC(=O)/C=C/c1cc(Br)ccc1OC
InChIInChI=1S/C18H17BrO4/c1-3-22-16-6-4-5-7-17(16)23-18(20)11-8-13-12-14(19)9-10-15(13)21-2/h4-12H,3H2,1-2H3/b11-8+
InChIKeyJUJKNLCHQGVREL-DHZHZOJOSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033
(2,6-dimethylphenyl) (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate
CID 19185323
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
(3-chlorophenyl) (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate
CID 19185345
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555434
[4-(1,3-dioxoisoindol-2-yl)phenyl] (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate
CID 19185409
(4-acetamidophenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 26188034
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408
(2-methoxyphenyl) (E)-3-(3-bromophenyl)prop-2-enoate
CID 8778589
(2-bromo-3-pyridinyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 60581600
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(2-cyanophenyl)methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7571341

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate?
The IUPAC name of (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate (CID 19206569) is (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate is CCOc1ccccc1OC(=O)/C=C/c1cc(Br)ccc1OC.
What is the InChIKey of (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate?
The InChIKey is JUJKNLCHQGVREL-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H17BrO4/c1-3-22-16-6-4-5-7-17(16)23-18(20)11-8-13-12-14(19)9-10-15(13)21-2/h4-12H,3H2,1-2H3/b11-8+.
What are the key properties of (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate?
(2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate has a molecular weight of 377.23 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19206569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).