methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate

C17H17BrO3 — CID 23136270

IUPACmethyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrO3/c1-20-17(19)10-7-13-5-8-16(9-6-13)21-12-14-3-2-4-15(18)11-14/h2-6,8-9,11H,7,10,12H2,1H3
InChIKeyRDDLNQRAFTVRBN-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.13
Rot. Bonds6

About methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate

methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate (PubChem CID 23136270) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
PubChem CID23136270
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Namemethyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrO3/c1-20-17(19)10-7-13-5-8-16(9-6-13)21-12-14-3-2-4-15(18)11-14/h2-6,8-9,11H,7,10,12H2,1H3
InChIKeyRDDLNQRAFTVRBN-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-[4-[[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoate
CID 57413460
methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
CID 23159922
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 23083192
methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
CID 58903192
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
methyl 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]propanoate
CID 23159874
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
CID 115495740

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate (CID 23136270) is methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate?
The InChIKey is RDDLNQRAFTVRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-20-17(19)10-7-13-5-8-16(9-6-13)21-12-14-3-2-4-15(18)11-14/h2-6,8-9,11H,7,10,12H2,1H3.
What are the key properties of methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate?
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate has a molecular weight of 349.22 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 23136270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).