4-(oxolan-3-ylmethyl)benzaldehyde

C12H14O2 — CID 105444209

IUPAC4-(oxolan-3-ylmethyl)benzaldehyde
SMILESO=Cc1ccc(CC2CCOC2)cc1
InChIInChI=1S/C12H14O2/c13-8-11-3-1-10(2-4-11)7-12-5-6-14-9-12/h1-4,8,12H,5-7,9H2
InChIKeyYMSMNMFTTOKAFS-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.08
Rot. Bonds3

About 4-(oxolan-3-ylmethyl)benzaldehyde

4-(oxolan-3-ylmethyl)benzaldehyde (PubChem CID 105444209) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)benzaldehyde
PubChem CID105444209
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-(oxolan-3-ylmethyl)benzaldehyde
SMILESO=Cc1ccc(CC2CCOC2)cc1
InChIInChI=1S/C12H14O2/c13-8-11-3-1-10(2-4-11)7-12-5-6-14-9-12/h1-4,8,12H,5-7,9H2
InChIKeyYMSMNMFTTOKAFS-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.08
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-(oxan-4-ylmethyl)benzaldehyde
CID 105456277
2-methyl-5-(oxolan-3-ylmethyl)pyridine
CID 170611002
2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133746
3-(oxetan-3-ylmethyl)benzaldehyde
CID 176709623
1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone
CID 130900994
4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320565
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129197
4-[[1-(4-formylphenyl)piperidin-4-yl]methyl]benzoic acid
CID 174842373
trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane
CID 178122866
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid
CID 175960431
1,1-diethoxyethane;ethene;4-[(4-methylcyclohexyl)methyl]benzaldehyde
CID 88539943

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethyl)benzaldehyde?
The IUPAC name of 4-(oxolan-3-ylmethyl)benzaldehyde (CID 105444209) is 4-(oxolan-3-ylmethyl)benzaldehyde.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)benzaldehyde?
The canonical SMILES for 4-(oxolan-3-ylmethyl)benzaldehyde is O=Cc1ccc(CC2CCOC2)cc1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)benzaldehyde?
The InChIKey is YMSMNMFTTOKAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-11-3-1-10(2-4-11)7-12-5-6-14-9-12/h1-4,8,12H,5-7,9H2.
What are the key properties of 4-(oxolan-3-ylmethyl)benzaldehyde?
4-(oxolan-3-ylmethyl)benzaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)benzaldehyde is sourced from PubChem (CID 105444209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).