7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one

C15H16O2 — CID 15658853

IUPAC7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
SMILESO=C1CC2C=CC1C2COCc1ccccc1
InChIInChI=1S/C15H16O2/c16-15-8-12-6-7-13(15)14(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-14H,8-10H2
InChIKeyLSDGHFTXHLNHLS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.59
Rot. Bonds4

About 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one

7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one (PubChem CID 15658853) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one.

Molecular Properties

Compound Name7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
PubChem CID15658853
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
SMILESO=C1CC2C=CC1C2COCc1ccccc1
InChIInChI=1S/C15H16O2/c16-15-8-12-6-7-13(15)14(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-14H,8-10H2
InChIKeyLSDGHFTXHLNHLS-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
The IUPAC name of 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one (CID 15658853) is 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one.
What is the SMILES notation for 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
The canonical SMILES for 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one is O=C1CC2C=CC1C2COCc1ccccc1.
What is the InChIKey of 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
The InChIKey is LSDGHFTXHLNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-15-8-12-6-7-13(15)14(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-14H,8-10H2.
What are the key properties of 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one has a molecular weight of 228.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-en-2-one is sourced from PubChem (CID 15658853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).