3-(cyclobutylmethoxy)benzaldehyde

C12H14O2 — CID 58027526

IUPAC3-(cyclobutylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCC2CCC2)c1
InChIInChI=1S/C12H14O2/c13-8-11-5-2-6-12(7-11)14-9-10-3-1-4-10/h2,5-8,10H,1,3-4,9H2
InChIKeyIICVGWFEIFIMDC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.68
Rot. Bonds4

About 3-(cyclobutylmethoxy)benzaldehyde

3-(cyclobutylmethoxy)benzaldehyde (PubChem CID 58027526) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)benzaldehyde
PubChem CID58027526
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(cyclobutylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCC2CCC2)c1
InChIInChI=1S/C12H14O2/c13-8-11-5-2-6-12(7-11)14-9-10-3-1-4-10/h2,5-8,10H,1,3-4,9H2
InChIKeyIICVGWFEIFIMDC-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.68
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-(cycloheptylmethoxy)benzaldehyde
CID 86637613
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
CID 116521944
ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate
CID 58027574
(E)-3-[3-(cyclohexylmethoxy)phenyl]-2-methylprop-2-enenitrile
CID 172583892
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
3-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propoxy]benzaldehyde
CID 99991988
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]butoxy]benzaldehyde
CID 99992136
3-(cyclooctylmethoxy)benzoic acid
CID 58347494

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)benzaldehyde?
The IUPAC name of 3-(cyclobutylmethoxy)benzaldehyde (CID 58027526) is 3-(cyclobutylmethoxy)benzaldehyde.
What is the SMILES notation for 3-(cyclobutylmethoxy)benzaldehyde?
The canonical SMILES for 3-(cyclobutylmethoxy)benzaldehyde is O=Cc1cccc(OCC2CCC2)c1.
What is the InChIKey of 3-(cyclobutylmethoxy)benzaldehyde?
The InChIKey is IICVGWFEIFIMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-11-5-2-6-12(7-11)14-9-10-3-1-4-10/h2,5-8,10H,1,3-4,9H2.
What are the key properties of 3-(cyclobutylmethoxy)benzaldehyde?
3-(cyclobutylmethoxy)benzaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)benzaldehyde is sourced from PubChem (CID 58027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).