(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal

C17H18O3 — CID 52912809

IUPAC(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
SMILESCO[C@H](c1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-19-17(15-10-6-3-7-11-15)16(12-18)20-13-14-8-4-2-5-9-14/h2-12,16-17H,13H2,1H3/t16-,17+/m0/s1
InChIKeyXNFBWUWRCMGAJL-DLBZAZTESA-N
MW270.33 g/mol
LogP3.16
Rot. Bonds7

About (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal

(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal (PubChem CID 52912809) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
PubChem CID52912809
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
SMILESCO[C@H](c1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-19-17(15-10-6-3-7-11-15)16(12-18)20-13-14-8-4-2-5-9-14/h2-12,16-17H,13H2,1H3/t16-,17+/m0/s1
InChIKeyXNFBWUWRCMGAJL-DLBZAZTESA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal
CID 11313391
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
(E,2S,3R)-2,3-bis(phenylmethoxy)hept-4-enal
CID 102023534
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-phenylmethoxyhexanal
CID 88598218
(2R,3R,4S)-3-hydroxy-2-(hydroxymethyl)-4-phenylmethoxypentanedial
CID 15235480

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal?
The IUPAC name of (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal (CID 52912809) is (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal.
What is the SMILES notation for (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal?
The canonical SMILES for (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal is CO[C@H](c1ccccc1)[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal?
The InChIKey is XNFBWUWRCMGAJL-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18O3/c1-19-17(15-10-6-3-7-11-15)16(12-18)20-13-14-8-4-2-5-9-14/h2-12,16-17H,13H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal?
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal has a molecular weight of 270.33 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal is sourced from PubChem (CID 52912809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).