2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate

C18H19BrO5 — CID 55326832

IUPAC2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCCOc1cccc(Br)c1
InChIInChI=1S/C18H19BrO5/c1-13-6-7-16(17(10-13)21-2)24-12-18(20)23-9-8-22-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyHJRBKZQVQDLQAC-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.77
Rot. Bonds8

About 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate

2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 55326832) has the molecular formula C18H19BrO5 and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID55326832
Molecular FormulaC18H19BrO5
Molecular Weight395.25 g/mol
Exact Mass394.04
IUPAC Name2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCCOc1cccc(Br)c1
InChIInChI=1S/C18H19BrO5/c1-13-6-7-16(17(10-13)21-2)24-12-18(20)23-9-8-22-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyHJRBKZQVQDLQAC-UHFFFAOYSA-N
XLogP3.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
2-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537
methyl 4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzoate
CID 7694604
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 112971232
2-(3-bromophenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5157484
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanol
CID 63650431
(1S)-1-[2-[2-(3-bromophenoxy)ethoxy]-5-methylphenyl]ethanol
CID 78933736
4-(bromomethyl)-1-[2-(3-bromophenoxy)ethoxy]-2-methoxybenzene
CID 63535512
2-(3-bromophenoxy)ethyl 2-(4-cyanophenoxy)acetate
CID 9140855
2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene
CID 64854074
N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60549237
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate (CID 55326832) is 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OCCOc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is HJRBKZQVQDLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO5/c1-13-6-7-16(17(10-13)21-2)24-12-18(20)23-9-8-22-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate?
2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 395.25 g/mol, XLogP of 3.77, 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 2-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 55326832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).