methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate

C19H19BrO4 — CID 175003668

IUPACmethyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate
SMILESCOC(=O)Cc1cc(C(C)C(=O)OC)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C19H19BrO4/c1-12(19(22)24-3)14-6-9-17(13-4-7-16(20)8-5-13)15(10-14)11-18(21)23-2/h4-10,12H,11H2,1-3H3
InChIKeyFMWHYIWSUMTRRE-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.11
Rot. Bonds5

About methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate

methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate (PubChem CID 175003668) has the molecular formula C19H19BrO4 and a molecular weight of 391.26 g/mol. Its IUPAC name is methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate
PubChem CID175003668
Molecular FormulaC19H19BrO4
Molecular Weight391.26 g/mol
Exact Mass390.05
IUPAC Namemethyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate
SMILESCOC(=O)Cc1cc(C(C)C(=O)OC)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C19H19BrO4/c1-12(19(22)24-3)14-6-9-17(13-4-7-16(20)8-5-13)15(10-14)11-18(21)23-2/h4-10,12H,11H2,1-3H3
InChIKeyFMWHYIWSUMTRRE-UHFFFAOYSA-N
XLogP4.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 154165948
methyl 2-(3,4-diphenylphenyl)propanoate
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methyl 2-[4-(4-acetyloxyphenyl)-3-fluorophenyl]propanoate
CID 18693708
methyl 2-(3,4-dichlorophenyl)acetate;methyl 2-(3,4-dichlorophenyl)propanoate
CID 160802839
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
methyl 2-(4-bromo-2-iodophenyl)acetate
CID 86241402
methyl 2-(3-bromo-4-propan-2-yloxyphenyl)propanoate
CID 105426774
2-[3-(2-methoxy-2-oxoethyl)-4-phenylsulfanylphenyl]propanoic acid
CID 54171220
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
methyl (2R,3S)-2-amino-3-(4-bromophenyl)-3-hydroxypropanoate
CID 14314190
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate (CID 175003668) is methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate is COC(=O)Cc1cc(C(C)C(=O)OC)ccc1-c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate?
The InChIKey is FMWHYIWSUMTRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO4/c1-12(19(22)24-3)14-6-9-17(13-4-7-16(20)8-5-13)15(10-14)11-18(21)23-2/h4-10,12H,11H2,1-3H3.
What are the key properties of methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate?
methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate has a molecular weight of 391.26 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate is sourced from PubChem (CID 175003668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).