[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

C18H16BrClO4 — CID 7779465

IUPAC[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrClO4/c1-11-9-15(20)7-8-16(11)23-10-17(21)24-12(2)18(22)13-3-5-14(19)6-4-13/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyAQMZSRNTIVNBSD-GFCCVEGCSA-N
MW411.68 g/mol
LogP4.60
Rot. Bonds6

About [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 7779465) has the molecular formula C18H16BrClO4 and a molecular weight of 411.68 g/mol. Its IUPAC name is [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID7779465
Molecular FormulaC18H16BrClO4
Molecular Weight411.68 g/mol
Exact Mass409.99
IUPAC Name[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrClO4/c1-11-9-15(20)7-8-16(11)23-10-17(21)24-12(2)18(22)13-3-5-14(19)6-4-13/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyAQMZSRNTIVNBSD-GFCCVEGCSA-N
XLogP4.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2,4,5-trichlorophenoxy)acetate
CID 4965916
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021138
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779350
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 55416889
methyl 5-bromo-2-[2-(4-chloro-2-methylphenoxy)acetyl]oxybenzoate
CID 17339894
(4-bromo-2,6-dimethylphenyl) 2-(4-chloro-2-methylphenoxy)acetate
CID 3306029
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7235628
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8525699
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889661
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate (CID 7779465) is [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is AQMZSRNTIVNBSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16BrClO4/c1-11-9-15(20)7-8-16(11)23-10-17(21)24-12(2)18(22)13-3-5-14(19)6-4-13/h3-9,12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 411.68 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 7779465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).