3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde

C18H18O2 — CID 145039199

IUPAC3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
SMILESCC1(c2cccc(Oc3ccccc3)c2)CC(C=O)C1
InChIInChI=1S/C18H18O2/c1-18(11-14(12-18)13-19)15-6-5-9-17(10-15)20-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3
InChIKeyNZCDZJSXOZPCMW-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.35
Rot. Bonds4

About 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde

3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde (PubChem CID 145039199) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
PubChem CID145039199
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
SMILESCC1(c2cccc(Oc3ccccc3)c2)CC(C=O)C1
InChIInChI=1S/C18H18O2/c1-18(11-14(12-18)13-19)15-6-5-9-17(10-15)20-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3
InChIKeyNZCDZJSXOZPCMW-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 118951250
1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol
CID 129090086
ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 145039195
(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate
CID 140969500
ethyl 3-hydroxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 118951537
(2R)-2-(3-phenoxyphenyl)propanal
CID 92977533
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-(3-phenoxyphenyl)ethanol
CID 12882419
CID 175001892
CID 175001892
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299
2,2-dimethyl-5-[(3-phenoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 168598804
2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine
CID 23332476

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde (CID 145039199) is 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde is CC1(c2cccc(Oc3ccccc3)c2)CC(C=O)C1.
What is the InChIKey of 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
The InChIKey is NZCDZJSXOZPCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-18(11-14(12-18)13-19)15-6-5-9-17(10-15)20-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde has a molecular weight of 266.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 145039199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).