methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate

C13H17BrO3 — CID 11381066

IUPACmethyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate
SMILESCCC[C@@H](OCc1ccc(Br)cc1)C(=O)OC
InChIInChI=1S/C13H17BrO3/c1-3-4-12(13(15)16-2)17-9-10-5-7-11(14)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKeyMLSCRIKACDMUNL-GFCCVEGCSA-N
MW301.18 g/mol
LogP3.31
Rot. Bonds6

About methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate

methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate (PubChem CID 11381066) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate
PubChem CID11381066
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Namemethyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate
SMILESCCC[C@@H](OCc1ccc(Br)cc1)C(=O)OC
InChIInChI=1S/C13H17BrO3/c1-3-4-12(13(15)16-2)17-9-10-5-7-11(14)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKeyMLSCRIKACDMUNL-GFCCVEGCSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methoxy]pentanoic acid
CID 83037540
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
CID 103224152
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
2-[(4-bromophenyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide
CID 22235980
1-O-[(4-bromophenyl)methyl] 3-O-ethyl 2-ethylpropanedioate
CID 174418589
methyl 3-(4-bromophenyl)-2-chloropropanoate
CID 79021438
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride
CID 119317253
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate?
The IUPAC name of methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate (CID 11381066) is methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate.
What is the SMILES notation for methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate?
The canonical SMILES for methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate is CCC[C@@H](OCc1ccc(Br)cc1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate?
The InChIKey is MLSCRIKACDMUNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-3-4-12(13(15)16-2)17-9-10-5-7-11(14)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate?
methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate has a molecular weight of 301.18 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate is sourced from PubChem (CID 11381066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).