2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

C19H19BrO5 — CID 7653620

IUPAC2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(OC)c(/C=C/C(=O)OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C19H19BrO5/c1-22-16-7-8-18(23-2)14(12-16)6-9-19(21)25-11-10-24-17-5-3-4-15(20)13-17/h3-9,12-13H,10-11H2,1-2H3/b9-6+
InChIKeyMMKVTMKUMXTUDM-RMKNXTFCSA-N
MW407.26 g/mol
LogP4.10
Rot. Bonds8

About 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 7653620) has the molecular formula C19H19BrO5 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
PubChem CID7653620
Molecular FormulaC19H19BrO5
Molecular Weight407.26 g/mol
Exact Mass406.04
IUPAC Name2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(OC)c(/C=C/C(=O)OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C19H19BrO5/c1-22-16-7-8-18(23-2)14(12-16)6-9-19(21)25-11-10-24-17-5-3-4-15(20)13-17/h3-9,12-13H,10-11H2,1-2H3/b9-6+
InChIKeyMMKVTMKUMXTUDM-RMKNXTFCSA-N
XLogP4.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-bromophenyl)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7654022
(4-bromo-2-fluorophenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7653657
(E)-3-(2,5-dimethoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
CID 10316180
3-[5-bromo-2-[2-(3-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20991576
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537
[2-(3-chlorophenyl)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 4990555
2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326832
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (Z)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 2120781
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949466
(2-methoxy-5-methylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7604112
2-(4-bromophenoxy)ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5165214

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (CID 7653620) is 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is COc1ccc(OC)c(/C=C/C(=O)OCCOc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is MMKVTMKUMXTUDM-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H19BrO5/c1-22-16-7-8-18(23-2)14(12-16)6-9-19(21)25-11-10-24-17-5-3-4-15(20)13-17/h3-9,12-13H,10-11H2,1-2H3/b9-6+.
What are the key properties of 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 407.26 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).