[2-(3-methylphenyl)phenyl] 2-methylpropanoate

C17H18O2 — CID 170389362

IUPAC[2-(3-methylphenyl)phenyl] 2-methylpropanoate
SMILESCc1cccc(-c2ccccc2OC(=O)C(C)C)c1
InChIInChI=1S/C17H18O2/c1-12(2)17(18)19-16-10-5-4-9-15(16)14-8-6-7-13(3)11-14/h4-12H,1-3H3
InChIKeyRRFDZPHJFMWDIE-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.22
Rot. Bonds3

About [2-(3-methylphenyl)phenyl] 2-methylpropanoate

[2-(3-methylphenyl)phenyl] 2-methylpropanoate (PubChem CID 170389362) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-(3-methylphenyl)phenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(3-methylphenyl)phenyl] 2-methylpropanoate
PubChem CID170389362
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name[2-(3-methylphenyl)phenyl] 2-methylpropanoate
SMILESCc1cccc(-c2ccccc2OC(=O)C(C)C)c1
InChIInChI=1S/C17H18O2/c1-12(2)17(18)19-16-10-5-4-9-15(16)14-8-6-7-13(3)11-14/h4-12H,1-3H3
InChIKeyRRFDZPHJFMWDIE-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)phenyl] 2-methylpropanoate?
The IUPAC name of [2-(3-methylphenyl)phenyl] 2-methylpropanoate (CID 170389362) is [2-(3-methylphenyl)phenyl] 2-methylpropanoate.
What is the SMILES notation for [2-(3-methylphenyl)phenyl] 2-methylpropanoate?
The canonical SMILES for [2-(3-methylphenyl)phenyl] 2-methylpropanoate is Cc1cccc(-c2ccccc2OC(=O)C(C)C)c1.
What is the InChIKey of [2-(3-methylphenyl)phenyl] 2-methylpropanoate?
The InChIKey is RRFDZPHJFMWDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)17(18)19-16-10-5-4-9-15(16)14-8-6-7-13(3)11-14/h4-12H,1-3H3.
What are the key properties of [2-(3-methylphenyl)phenyl] 2-methylpropanoate?
[2-(3-methylphenyl)phenyl] 2-methylpropanoate has a molecular weight of 254.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)phenyl] 2-methylpropanoate is sourced from PubChem (CID 170389362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).