1-phenylmethoxyadamantan-2-one

C17H20O2 — CID 67017814

IUPAC1-phenylmethoxyadamantan-2-one
SMILESO=C1C2CC3CC(C2)CC1(OCc1ccccc1)C3
InChIInChI=1S/C17H20O2/c18-16-15-7-13-6-14(8-15)10-17(16,9-13)19-11-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2
InChIKeyCNYPCJUUCYBUFL-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.35
Rot. Bonds3

About 1-phenylmethoxyadamantan-2-one

1-phenylmethoxyadamantan-2-one (PubChem CID 67017814) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-phenylmethoxyadamantan-2-one.

Molecular Properties

Compound Name1-phenylmethoxyadamantan-2-one
PubChem CID67017814
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-phenylmethoxyadamantan-2-one
SMILESO=C1C2CC3CC(C2)CC1(OCc1ccccc1)C3
InChIInChI=1S/C17H20O2/c18-16-15-7-13-6-14(8-15)10-17(16,9-13)19-11-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2
InChIKeyCNYPCJUUCYBUFL-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxyadamantan-2-one?
The IUPAC name of 1-phenylmethoxyadamantan-2-one (CID 67017814) is 1-phenylmethoxyadamantan-2-one.
What is the SMILES notation for 1-phenylmethoxyadamantan-2-one?
The canonical SMILES for 1-phenylmethoxyadamantan-2-one is O=C1C2CC3CC(C2)CC1(OCc1ccccc1)C3.
What is the InChIKey of 1-phenylmethoxyadamantan-2-one?
The InChIKey is CNYPCJUUCYBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-16-15-7-13-6-14(8-15)10-17(16,9-13)19-11-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2.
What are the key properties of 1-phenylmethoxyadamantan-2-one?
1-phenylmethoxyadamantan-2-one has a molecular weight of 256.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxyadamantan-2-one is sourced from PubChem (CID 67017814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).