(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal

C19H20O3 — CID 56926974

IUPAC(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-2-18(21-14-16-9-5-3-6-10-16)19(13-20)22-15-17-11-7-4-8-12-17/h2-13,18-19H,1,14-15H2/t18-,19+/m1/s1
InChIKeySFPGFSQMDADFQY-MOPGFXCFSA-N
MW296.37 g/mol
LogP3.54
Rot. Bonds9

About (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal

(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal (PubChem CID 56926974) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
PubChem CID56926974
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-2-18(21-14-16-9-5-3-6-10-16)19(13-20)22-15-17-11-7-4-8-12-17/h2-13,18-19H,1,14-15H2/t18-,19+/m1/s1
InChIKeySFPGFSQMDADFQY-MOPGFXCFSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(E,2S,3R)-2,3-bis(phenylmethoxy)hept-4-enal
CID 102023534
(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal
CID 11313391
(2S,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienal
CID 101049962
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
CID 46915682
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
CID 52912809

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal?
The IUPAC name of (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal (CID 56926974) is (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal.
What is the SMILES notation for (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal?
The canonical SMILES for (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal is C=C[C@@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal?
The InChIKey is SFPGFSQMDADFQY-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-18(21-14-16-9-5-3-6-10-16)19(13-20)22-15-17-11-7-4-8-12-17/h2-13,18-19H,1,14-15H2/t18-,19+/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal?
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal has a molecular weight of 296.37 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal is sourced from PubChem (CID 56926974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).