phenyl (2R)-2-(3,4-dimethylphenyl)propanoate

C17H18O2 — CID 141470934

IUPACphenyl (2R)-2-(3,4-dimethylphenyl)propanoate
SMILESCc1ccc([C@@H](C)C(=O)Oc2ccccc2)cc1C
InChIInChI=1S/C17H18O2/c1-12-9-10-15(11-13(12)2)14(3)17(18)19-16-7-5-4-6-8-16/h4-11,14H,1-3H3/t14-/m1/s1
InChIKeyYMUVLTKSAHUODJ-CQSZACIVSA-N
MW254.33 g/mol
LogP4.01
Rot. Bonds3

About phenyl (2R)-2-(3,4-dimethylphenyl)propanoate

phenyl (2R)-2-(3,4-dimethylphenyl)propanoate (PubChem CID 141470934) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is phenyl (2R)-2-(3,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Namephenyl (2R)-2-(3,4-dimethylphenyl)propanoate
PubChem CID141470934
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namephenyl (2R)-2-(3,4-dimethylphenyl)propanoate
SMILESCc1ccc([C@@H](C)C(=O)Oc2ccccc2)cc1C
InChIInChI=1S/C17H18O2/c1-12-9-10-15(11-13(12)2)14(3)17(18)19-16-7-5-4-6-8-16/h4-11,14H,1-3H3/t14-/m1/s1
InChIKeyYMUVLTKSAHUODJ-CQSZACIVSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.01
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-methylphenyl)propanoate
CID 141470933
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
phenyl 2-[4-(trifluoromethyl)phenyl]propanoate
CID 174831640
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
phenyl (2S)-2-methoxypropanoate
CID 12621314
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022
(4-methylphenyl) 2-(2-oxochromen-7-yl)propanoate
CID 22112647
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
phenyl 2-(hydroxyamino)propanoate
CID 88707618

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-(3,4-dimethylphenyl)propanoate?
The IUPAC name of phenyl (2R)-2-(3,4-dimethylphenyl)propanoate (CID 141470934) is phenyl (2R)-2-(3,4-dimethylphenyl)propanoate.
What is the SMILES notation for phenyl (2R)-2-(3,4-dimethylphenyl)propanoate?
The canonical SMILES for phenyl (2R)-2-(3,4-dimethylphenyl)propanoate is Cc1ccc([C@@H](C)C(=O)Oc2ccccc2)cc1C.
What is the InChIKey of phenyl (2R)-2-(3,4-dimethylphenyl)propanoate?
The InChIKey is YMUVLTKSAHUODJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-9-10-15(11-13(12)2)14(3)17(18)19-16-7-5-4-6-8-16/h4-11,14H,1-3H3/t14-/m1/s1.
What are the key properties of phenyl (2R)-2-(3,4-dimethylphenyl)propanoate?
phenyl (2R)-2-(3,4-dimethylphenyl)propanoate has a molecular weight of 254.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-(3,4-dimethylphenyl)propanoate is sourced from PubChem (CID 141470934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).