phenyl (2R)-2-(3-methylphenyl)propanoate

C16H16O2 — CID 141470933

IUPACphenyl (2R)-2-(3-methylphenyl)propanoate
SMILESCc1cccc([C@@H](C)C(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12-7-6-8-14(11-12)13(2)16(17)18-15-9-4-3-5-10-15/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyCLBISTCBEVVMHL-CYBMUJFWSA-N
MW240.30 g/mol
LogP3.70
Rot. Bonds3

About phenyl (2R)-2-(3-methylphenyl)propanoate

phenyl (2R)-2-(3-methylphenyl)propanoate (PubChem CID 141470933) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is phenyl (2R)-2-(3-methylphenyl)propanoate.

Molecular Properties

Compound Namephenyl (2R)-2-(3-methylphenyl)propanoate
PubChem CID141470933
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namephenyl (2R)-2-(3-methylphenyl)propanoate
SMILESCc1cccc([C@@H](C)C(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12-7-6-8-14(11-12)13(2)16(17)18-15-9-4-3-5-10-15/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyCLBISTCBEVVMHL-CYBMUJFWSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl (2R)-2-(3,4-dimethylphenyl)propanoate
CID 141470934
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
CID 81360922
(3-methylphenyl) 2-phenylbutanoate
CID 91719286
3-(3-methylphenyl)-2-oxobutanoic acid
CID 15158864
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
(2S)-2-(3-methylphenyl)propanoate
CID 86312552
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
sodium 2-(3-methylphenyl)propanoate
CID 23706698
phenyl 2-[4-(trifluoromethyl)phenyl]propanoate
CID 174831640
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
1,2-bis(3-methylphenyl)propan-1-one
CID 145487890

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-(3-methylphenyl)propanoate?
The IUPAC name of phenyl (2R)-2-(3-methylphenyl)propanoate (CID 141470933) is phenyl (2R)-2-(3-methylphenyl)propanoate.
What is the SMILES notation for phenyl (2R)-2-(3-methylphenyl)propanoate?
The canonical SMILES for phenyl (2R)-2-(3-methylphenyl)propanoate is Cc1cccc([C@@H](C)C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl (2R)-2-(3-methylphenyl)propanoate?
The InChIKey is CLBISTCBEVVMHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-7-6-8-14(11-12)13(2)16(17)18-15-9-4-3-5-10-15/h3-11,13H,1-2H3/t13-/m1/s1.
What are the key properties of phenyl (2R)-2-(3-methylphenyl)propanoate?
phenyl (2R)-2-(3-methylphenyl)propanoate has a molecular weight of 240.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-(3-methylphenyl)propanoate is sourced from PubChem (CID 141470933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).