1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde

C15H18O4S — CID 153461531

IUPAC1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde
SMILESO=CC1(S(=O)(=O)C2(COCc3ccccc3)CC2)CC1
InChIInChI=1S/C15H18O4S/c16-11-14(6-7-14)20(17,18)15(8-9-15)12-19-10-13-4-2-1-3-5-13/h1-5,11H,6-10,12H2
InChIKeyUTVOVAOMFNCUKV-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.88
Rot. Bonds7

About 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde

1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde (PubChem CID 153461531) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde
PubChem CID153461531
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde
SMILESO=CC1(S(=O)(=O)C2(COCc3ccccc3)CC2)CC1
InChIInChI=1S/C15H18O4S/c16-11-14(6-7-14)20(17,18)15(8-9-15)12-19-10-13-4-2-1-3-5-13/h1-5,11H,6-10,12H2
InChIKeyUTVOVAOMFNCUKV-UHFFFAOYSA-N
XLogP1.88
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene
CID 146442043
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 146441811
5-oxo-3-(phenylmethoxymethyl)oxolane-3-carbaldehyde
CID 23256312
5-(bromomethyl)-5-(phenylmethoxymethyl)cycloheptene
CID 165445741
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
disodium;phenylmethoxymethylbenzene;sulfate
CID 70513406
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549

Frequently Asked Questions

What is the IUPAC name of 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde (CID 153461531) is 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde is O=CC1(S(=O)(=O)C2(COCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde?
The InChIKey is UTVOVAOMFNCUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c16-11-14(6-7-14)20(17,18)15(8-9-15)12-19-10-13-4-2-1-3-5-13/h1-5,11H,6-10,12H2.
What are the key properties of 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde?
1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde has a molecular weight of 294.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 153461531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).