4,4-dideuterio-2-phenylmethoxycyclopentan-1-one

C12H14O2 — CID 171581931

IUPAC4,4-dideuterio-2-phenylmethoxycyclopentan-1-one
SMILES[2H]C1([2H])CC(=O)C(OCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/i4D2
InChIKeyWYNUTNLIODWGDR-APZFVMQVSA-N
MW192.25 g/mol
LogP2.32
Rot. Bonds3

About 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one

4,4-dideuterio-2-phenylmethoxycyclopentan-1-one (PubChem CID 171581931) has the molecular formula C12H14O2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one.

Molecular Properties

Compound Name4,4-dideuterio-2-phenylmethoxycyclopentan-1-one
PubChem CID171581931
Molecular FormulaC12H14O2
Molecular Weight192.25 g/mol
Exact Mass192.11
IUPAC Name4,4-dideuterio-2-phenylmethoxycyclopentan-1-one
SMILES[2H]C1([2H])CC(=O)C(OCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/i4D2
InChIKeyWYNUTNLIODWGDR-APZFVMQVSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one?
The IUPAC name of 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one (CID 171581931) is 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one.
What is the SMILES notation for 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one?
The canonical SMILES for 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one is [2H]C1([2H])CC(=O)C(OCc2ccccc2)C1.
What is the InChIKey of 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one?
The InChIKey is WYNUTNLIODWGDR-APZFVMQVSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/i4D2.
What are the key properties of 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one?
4,4-dideuterio-2-phenylmethoxycyclopentan-1-one has a molecular weight of 192.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-2-phenylmethoxycyclopentan-1-one is sourced from PubChem (CID 171581931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).