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

C18H20O2 — CID 3023427

IUPAC(4-propan-2-ylphenyl)methyl 2-phenylacetate
SMILESCC(C)c1ccc(COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyYLYZPMRGUDMETE-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.10
Rot. Bonds5

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

(4-propan-2-ylphenyl)methyl 2-phenylacetate (PubChem CID 3023427) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 2-phenylacetate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 2-phenylacetate
PubChem CID3023427
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(4-propan-2-ylphenyl)methyl 2-phenylacetate
SMILESCC(C)c1ccc(COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyYLYZPMRGUDMETE-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 2-phenylacetate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 2-phenylacetate (CID 3023427) is (4-propan-2-ylphenyl)methyl 2-phenylacetate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 2-phenylacetate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 2-phenylacetate is CC(C)c1ccc(COC(=O)Cc2ccccc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 2-phenylacetate?
The InChIKey is YLYZPMRGUDMETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)methyl 2-phenylacetate?
(4-propan-2-ylphenyl)methyl 2-phenylacetate has a molecular weight of 268.36 g/mol, XLogP of 4.10, 5 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 2-phenylacetate is sourced from PubChem (CID 3023427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).