8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one

C20H16O2 — CID 102339501

IUPAC8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one
SMILESO=C1C=CC2C=CC1(OCc1ccccc1)c1ccccc12
InChIInChI=1S/C20H16O2/c21-19-11-10-16-12-13-20(19,18-9-5-4-8-17(16)18)22-14-15-6-2-1-3-7-15/h1-13,16H,14H2
InChIKeyZJUGBHHJZCAROM-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.89
Rot. Bonds3

About 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one

8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one (PubChem CID 102339501) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one.

Molecular Properties

Compound Name8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one
PubChem CID102339501
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one
SMILESO=C1C=CC2C=CC1(OCc1ccccc1)c1ccccc12
InChIInChI=1S/C20H16O2/c21-19-11-10-16-12-13-20(19,18-9-5-4-8-17(16)18)22-14-15-6-2-1-3-7-15/h1-13,16H,14H2
InChIKeyZJUGBHHJZCAROM-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
The IUPAC name of 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one (CID 102339501) is 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one.
What is the SMILES notation for 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
The canonical SMILES for 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one is O=C1C=CC2C=CC1(OCc1ccccc1)c1ccccc12.
What is the InChIKey of 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
The InChIKey is ZJUGBHHJZCAROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c21-19-11-10-16-12-13-20(19,18-9-5-4-8-17(16)18)22-14-15-6-2-1-3-7-15/h1-13,16H,14H2.
What are the key properties of 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one has a molecular weight of 288.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one is sourced from PubChem (CID 102339501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).