(4-propan-2-ylphenyl) 2-phenylacetate

C17H18O2 — CID 917902

IUPAC(4-propan-2-ylphenyl) 2-phenylacetate
SMILESCC(C)c1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13(2)15-8-10-16(11-9-15)19-17(18)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyNILMMNARRUBKME-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.96
Rot. Bonds4

About (4-propan-2-ylphenyl) 2-phenylacetate

(4-propan-2-ylphenyl) 2-phenylacetate (PubChem CID 917902) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 2-phenylacetate
PubChem CID917902
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4-propan-2-ylphenyl) 2-phenylacetate
SMILESCC(C)c1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13(2)15-8-10-16(11-9-15)19-17(18)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyNILMMNARRUBKME-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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 2-[4-(4-propan-2-ylphenoxy)phenyl]acetate
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(4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate
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(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
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[4-[2-cyano-2-[4-(2-phenylacetyl)oxyphenyl]ethyl]phenyl] 2-phenylacetate
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2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
butanoic acid;phenyl 2-phenylacetate
CID 68544995
(4-chloro-3-methylphenyl) 2-phenylacetate
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(4-propan-2-ylphenyl) 2-methylpropanoate
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(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
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[4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] 2-(4-propan-2-ylphenyl)acetate
CID 67439787

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 2-phenylacetate?
The IUPAC name of (4-propan-2-ylphenyl) 2-phenylacetate (CID 917902) is (4-propan-2-ylphenyl) 2-phenylacetate.
What is the SMILES notation for (4-propan-2-ylphenyl) 2-phenylacetate?
The canonical SMILES for (4-propan-2-ylphenyl) 2-phenylacetate is CC(C)c1ccc(OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) 2-phenylacetate?
The InChIKey is NILMMNARRUBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(2)15-8-10-16(11-9-15)19-17(18)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl) 2-phenylacetate?
(4-propan-2-ylphenyl) 2-phenylacetate has a molecular weight of 254.33 g/mol, XLogP of 3.96, 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) 2-phenylacetate is sourced from PubChem (CID 917902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).