3-phenylcyclobutane-1-carbaldehyde

C11H12O — CID 45083349

IUPAC3-phenylcyclobutane-1-carbaldehyde
SMILESO=CC1CC(c2ccccc2)C1
InChIInChI=1S/C11H12O/c12-8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2
InChIKeyOGVJNNYSEAWOSL-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.38
Rot. Bonds2

About 3-phenylcyclobutane-1-carbaldehyde

3-phenylcyclobutane-1-carbaldehyde (PubChem CID 45083349) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-phenylcyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-phenylcyclobutane-1-carbaldehyde
PubChem CID45083349
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name3-phenylcyclobutane-1-carbaldehyde
SMILESO=CC1CC(c2ccccc2)C1
InChIInChI=1S/C11H12O/c12-8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2
InChIKeyOGVJNNYSEAWOSL-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylcyclobutane-1-carbaldehyde?
The IUPAC name of 3-phenylcyclobutane-1-carbaldehyde (CID 45083349) is 3-phenylcyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-phenylcyclobutane-1-carbaldehyde?
The canonical SMILES for 3-phenylcyclobutane-1-carbaldehyde is O=CC1CC(c2ccccc2)C1.
What is the InChIKey of 3-phenylcyclobutane-1-carbaldehyde?
The InChIKey is OGVJNNYSEAWOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2.
What are the key properties of 3-phenylcyclobutane-1-carbaldehyde?
3-phenylcyclobutane-1-carbaldehyde has a molecular weight of 160.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylcyclobutane-1-carbaldehyde is sourced from PubChem (CID 45083349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).