(4-phenyl-2-adamantyl) acetate

C18H22O2 — CID 57238694

IUPAC(4-phenyl-2-adamantyl) acetate
SMILESCC(=O)OC1C2CC3CC(C2)C(c2ccccc2)C1C3
InChIInChI=1S/C18H22O2/c1-11(19)20-18-15-8-12-7-14(10-15)17(16(18)9-12)13-5-3-2-4-6-13/h2-6,12,14-18H,7-10H2,1H3
InChIKeyUDRDJUZKWMPCFG-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.77
Rot. Bonds2

About (4-phenyl-2-adamantyl) acetate

(4-phenyl-2-adamantyl) acetate (PubChem CID 57238694) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (4-phenyl-2-adamantyl) acetate.

Molecular Properties

Compound Name(4-phenyl-2-adamantyl) acetate
PubChem CID57238694
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(4-phenyl-2-adamantyl) acetate
SMILESCC(=O)OC1C2CC3CC(C2)C(c2ccccc2)C1C3
InChIInChI=1S/C18H22O2/c1-11(19)20-18-15-8-12-7-14(10-15)17(16(18)9-12)13-5-3-2-4-6-13/h2-6,12,14-18H,7-10H2,1H3
InChIKeyUDRDJUZKWMPCFG-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2-adamantyl) acetate?
The IUPAC name of (4-phenyl-2-adamantyl) acetate (CID 57238694) is (4-phenyl-2-adamantyl) acetate.
What is the SMILES notation for (4-phenyl-2-adamantyl) acetate?
The canonical SMILES for (4-phenyl-2-adamantyl) acetate is CC(=O)OC1C2CC3CC(C2)C(c2ccccc2)C1C3.
What is the InChIKey of (4-phenyl-2-adamantyl) acetate?
The InChIKey is UDRDJUZKWMPCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-11(19)20-18-15-8-12-7-14(10-15)17(16(18)9-12)13-5-3-2-4-6-13/h2-6,12,14-18H,7-10H2,1H3.
What are the key properties of (4-phenyl-2-adamantyl) acetate?
(4-phenyl-2-adamantyl) acetate has a molecular weight of 270.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2-adamantyl) acetate is sourced from PubChem (CID 57238694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).