3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde

C20H20O4 — CID 167068650

IUPAC3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESO=CC1OC=CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C20H20O4/c21-13-19-20(24-15-17-9-5-2-6-10-17)18(11-12-22-19)23-14-16-7-3-1-4-8-16/h1-13,18-20H,14-15H2
InChIKeyLXSYLSRVOBVBAO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.27
Rot. Bonds7

About 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde

3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 167068650) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde
PubChem CID167068650
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESO=CC1OC=CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C20H20O4/c21-13-19-20(24-15-17-9-5-2-6-10-17)18(11-12-22-19)23-14-16-7-3-1-4-8-16/h1-13,18-20H,14-15H2
InChIKeyLXSYLSRVOBVBAO-UHFFFAOYSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.27
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,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
(2R,3R,4R,5S)-2-(methoxymethyl)-3,4,5-tris(phenylmethoxy)-2,3,4,5-tetrahydrooxepine
CID 102415995
(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran
CID 101413374
(2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran
CID 11729971
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
CID 14605865
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-2-yl]methanol
CID 102122335
(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 58859609

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde (CID 167068650) is 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde is O=CC1OC=CC(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is LXSYLSRVOBVBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c21-13-19-20(24-15-17-9-5-2-6-10-17)18(11-12-22-19)23-14-16-7-3-1-4-8-16/h1-13,18-20H,14-15H2.
What are the key properties of 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde?
3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 324.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 167068650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).