(4-propan-2-ylphenyl)methyl benzoate

C17H18O2 — CID 44587224

IUPAC(4-propan-2-ylphenyl)methyl benzoate
SMILESCC(C)c1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13(2)15-10-8-14(9-11-15)12-19-17(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyOQURVZTUQABOQM-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.17
Rot. Bonds4

About (4-propan-2-ylphenyl)methyl benzoate

(4-propan-2-ylphenyl)methyl benzoate (PubChem CID 44587224) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl benzoate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl benzoate
PubChem CID44587224
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4-propan-2-ylphenyl)methyl benzoate
SMILESCC(C)c1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13(2)15-10-8-14(9-11-15)12-19-17(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyOQURVZTUQABOQM-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Diisobutyl phthalate
CID 6782
Methyl Benzoate
CID 7150
di-N-Octyl Phthalate
CID 8346
Diisodecyl Phthalate
CID 33599
Butyl Benzyl Phthalate
CID 2347
Dipentyl phthalate
CID 8561
Dimethyl terephthalate
CID 8441
Di(2-ethylhexyl) phthalate
CID 8343
Butyl Benzoate
CID 8698

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl benzoate?
The IUPAC name of (4-propan-2-ylphenyl)methyl benzoate (CID 44587224) is (4-propan-2-ylphenyl)methyl benzoate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl benzoate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl benzoate is CC(C)c1ccc(COC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl benzoate?
The InChIKey is OQURVZTUQABOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(2)15-10-8-14(9-11-15)12-19-17(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)methyl benzoate?
(4-propan-2-ylphenyl)methyl benzoate has a molecular weight of 254.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl benzoate is sourced from PubChem (CID 44587224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).