methyl (3R)-3-(4-chlorophenyl)butanoate

C11H13ClO2 — CID 11148562

IUPACmethyl (3R)-3-(4-chlorophenyl)butanoate
SMILESCOC(=O)C[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyFFALEYDWSBKJHW-MRVPVSSYSA-N
MW212.68 g/mol
LogP3.01
Rot. Bonds3

About methyl (3R)-3-(4-chlorophenyl)butanoate

methyl (3R)-3-(4-chlorophenyl)butanoate (PubChem CID 11148562) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is methyl (3R)-3-(4-chlorophenyl)butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-chlorophenyl)butanoate
PubChem CID11148562
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Namemethyl (3R)-3-(4-chlorophenyl)butanoate
SMILESCOC(=O)C[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyFFALEYDWSBKJHW-MRVPVSSYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
methyl 3-amino-4-(4-chlorophenyl)-4-hydroxybutanoate
CID 82347914
methyl 4-(4-chlorophenyl)-3-methyl-4-oxobutanoate
CID 11470505
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl 3-(3,5-dimethylphenyl)butanoate
CID 171372815
methyl 3-chloro-4-(4-chlorophenyl)butanoate
CID 82352044
methyl 3-(dimethylamino)-3-(4-propan-2-ylphenyl)propanoate
CID 116910166
methyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butanoate
CID 81355093
methyl 3-(2,3,4-trifluorophenyl)butanoate
CID 171372839

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-chlorophenyl)butanoate?
The IUPAC name of methyl (3R)-3-(4-chlorophenyl)butanoate (CID 11148562) is methyl (3R)-3-(4-chlorophenyl)butanoate.
What is the SMILES notation for methyl (3R)-3-(4-chlorophenyl)butanoate?
The canonical SMILES for methyl (3R)-3-(4-chlorophenyl)butanoate is COC(=O)C[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of methyl (3R)-3-(4-chlorophenyl)butanoate?
The InChIKey is FFALEYDWSBKJHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (3R)-3-(4-chlorophenyl)butanoate?
methyl (3R)-3-(4-chlorophenyl)butanoate has a molecular weight of 212.68 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-chlorophenyl)butanoate is sourced from PubChem (CID 11148562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).