methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate

C23H22O2 — CID 91807983

IUPACmethyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1cccc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C23H22O2/c1-23(2,18-11-5-4-6-12-18)19-13-9-10-17(16-19)20-14-7-8-15-21(20)22(24)25-3/h4-16H,1-3H3
InChIKeyWRZCOAGDBJJOJL-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.47
Rot. Bonds4

About methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate

methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate (PubChem CID 91807983) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate
PubChem CID91807983
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Namemethyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1cccc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C23H22O2/c1-23(2,18-11-5-4-6-12-18)19-13-9-10-17(16-19)20-14-7-8-15-21(20)22(24)25-3/h4-16H,1-3H3
InChIKeyWRZCOAGDBJJOJL-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-(3-fluoro-4-methylphenyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate?
The IUPAC name of methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate (CID 91807983) is methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate.
What is the SMILES notation for methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate?
The canonical SMILES for methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate is COC(=O)c1ccccc1-c1cccc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate?
The InChIKey is WRZCOAGDBJJOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-23(2,18-11-5-4-6-12-18)19-13-9-10-17(16-19)20-14-7-8-15-21(20)22(24)25-3/h4-16H,1-3H3.
What are the key properties of methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate?
methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate has a molecular weight of 330.43 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate is sourced from PubChem (CID 91807983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).