5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene

C15H14O — CID 67735092

IUPAC5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene
SMILESC1=C2CC(=C1)C(=COCc1ccccc1)C2
InChIInChI=1S/C15H14O/c1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13/h1-7,11H,8-10H2
InChIKeyHDZBFCRVVFKYCR-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.75
Rot. Bonds3

About 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene

5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene (PubChem CID 67735092) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene.

Molecular Properties

Compound Name5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene
PubChem CID67735092
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene
SMILESC1=C2CC(=C1)C(=COCc1ccccc1)C2
InChIInChI=1S/C15H14O/c1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13/h1-7,11H,8-10H2
InChIKeyHDZBFCRVVFKYCR-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene?
The IUPAC name of 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene (CID 67735092) is 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene.
What is the SMILES notation for 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene?
The canonical SMILES for 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene is C1=C2CC(=C1)C(=COCc1ccccc1)C2.
What is the InChIKey of 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene?
The InChIKey is HDZBFCRVVFKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13/h1-7,11H,8-10H2.
What are the key properties of 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene?
5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene has a molecular weight of 210.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene is sourced from PubChem (CID 67735092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).