3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one

C14H14O2 — CID 12501307

IUPAC3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one
SMILESO=C1C2CC(OCc3ccccc3)C3C1C23
InChIInChI=1S/C14H14O2/c15-14-9-6-10(12-11(9)13(12)14)16-7-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2
InChIKeyJOISPYACNFZHND-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.04
Rot. Bonds3

About 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one

3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one (PubChem CID 12501307) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one.

Molecular Properties

Compound Name3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one
PubChem CID12501307
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one
SMILESO=C1C2CC(OCc3ccccc3)C3C1C23
InChIInChI=1S/C14H14O2/c15-14-9-6-10(12-11(9)13(12)14)16-7-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2
InChIKeyJOISPYACNFZHND-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 163224715
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
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(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one?
The IUPAC name of 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one (CID 12501307) is 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one.
What is the SMILES notation for 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one?
The canonical SMILES for 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one is O=C1C2CC(OCc3ccccc3)C3C1C23.
What is the InChIKey of 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one?
The InChIKey is JOISPYACNFZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-14-9-6-10(12-11(9)13(12)14)16-7-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2.
What are the key properties of 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one?
3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one has a molecular weight of 214.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one is sourced from PubChem (CID 12501307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).