2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate

C18H19BrO5 — CID 23325108

IUPAC2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCC(Oc1ccc(O)cc1)C(=O)OCCOCc1ccccc1Br
InChIInChI=1S/C18H19BrO5/c1-13(24-16-8-6-15(20)7-9-16)18(21)23-11-10-22-12-14-4-2-3-5-17(14)19/h2-9,13,20H,10-12H2,1H3
InChIKeyBHDPTAFTWOBPOJ-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.68
Rot. Bonds8

About 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate

2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate (PubChem CID 23325108) has the molecular formula C18H19BrO5 and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
PubChem CID23325108
Molecular FormulaC18H19BrO5
Molecular Weight395.25 g/mol
Exact Mass394.04
IUPAC Name2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCC(Oc1ccc(O)cc1)C(=O)OCCOCc1ccccc1Br
InChIInChI=1S/C18H19BrO5/c1-13(24-16-8-6-15(20)7-9-16)18(21)23-11-10-22-12-14-4-2-3-5-17(14)19/h2-9,13,20H,10-12H2,1H3
InChIKeyBHDPTAFTWOBPOJ-UHFFFAOYSA-N
XLogP3.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
CID 23325090
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
2-oxoethyl 2-(4-hydroxyphenoxy)propanoate
CID 88738844
2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
CID 44635825
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
2-iodoethyl 2-phenoxypropanoate
CID 21411128
(2-bromophenyl)methyl (2S)-2-aminopropanoate
CID 82823528

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
The IUPAC name of 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate (CID 23325108) is 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate is CC(Oc1ccc(O)cc1)C(=O)OCCOCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
The InChIKey is BHDPTAFTWOBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO5/c1-13(24-16-8-6-15(20)7-9-16)18(21)23-11-10-22-12-14-4-2-3-5-17(14)19/h2-9,13,20H,10-12H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate has a molecular weight of 395.25 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 23325108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).