5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde

C13H16O4 — CID 172728928

IUPAC5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
SMILESCOC1CCC(C=O)(OCc2ccccc2)O1
InChIInChI=1S/C13H16O4/c1-15-12-7-8-13(10-14,17-12)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyHNJNBLWYHMMRKO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.88
Rot. Bonds5

About 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde

5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde (PubChem CID 172728928) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
PubChem CID172728928
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
SMILESCOC1CCC(C=O)(OCc2ccccc2)O1
InChIInChI=1S/C13H16O4/c1-15-12-7-8-13(10-14,17-12)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyHNJNBLWYHMMRKO-UHFFFAOYSA-N
XLogP1.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
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

(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 124677269
3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 124677262
(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane
CID 11164361
(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
CID 154479665
1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 18924232
2,2-dimethoxy-3-phenylpropanal
CID 12836204
2-phenylmethoxyoxetane
CID 23030739
benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane
CID 70005636
(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane
CID 14056916
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
(3R,4S,5S)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 51350664
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde?
The IUPAC name of 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde (CID 172728928) is 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde.
What is the SMILES notation for 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde?
The canonical SMILES for 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde is COC1CCC(C=O)(OCc2ccccc2)O1.
What is the InChIKey of 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde?
The InChIKey is HNJNBLWYHMMRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-15-12-7-8-13(10-14,17-12)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde?
5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde is sourced from PubChem (CID 172728928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).