(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one

C25H24O3 — CID 132538281

IUPAC(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
SMILESC=C[C@H](c1ccccc1)[C@@](OCOC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c1-3-23(20-13-7-4-8-14-20)25(28-19-27-2,22-17-11-6-12-18-22)24(26)21-15-9-5-10-16-21/h3-18,23H,1,19H2,2H3/t23-,25-/m1/s1
InChIKeyPJTHKZXDWHKIQG-ILBGXUMGSA-N
MW372.46 g/mol
LogP5.36
Rot. Bonds9

About (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one

(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one (PubChem CID 132538281) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one.

Molecular Properties

Compound Name(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
PubChem CID132538281
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
SMILESC=C[C@H](c1ccccc1)[C@@](OCOC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c1-3-23(20-13-7-4-8-14-20)25(28-19-27-2,22-17-11-6-12-18-22)24(26)21-15-9-5-10-16-21/h3-18,23H,1,19H2,2H3/t23-,25-/m1/s1
InChIKeyPJTHKZXDWHKIQG-ILBGXUMGSA-N
XLogP5.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one
CID 134955659
(2S,3R)-2-methoxy-1,2-diphenyl-3-[4-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 132538275
(2R,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 11370873
3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one
CID 19878476
N-(1,1,2-triphenylbut-3-enyl)benzamide
CID 175544491
[4,5-bis(methoxymethoxy)-6-oxohex-1-en-3-yl] benzoate
CID 542490
N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
CID 175544554
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
2,2-bis(2-methoxyethoxy)-1,2-diphenylethanone
CID 14762562
methyl (2R,3S)-2-benzamido-2-(methylsulfanylmethyl)-3-phenylpent-4-enoate
CID 138969760
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one?
The IUPAC name of (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one (CID 132538281) is (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one.
What is the SMILES notation for (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one?
The canonical SMILES for (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one is C=C[C@H](c1ccccc1)[C@@](OCOC)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one?
The InChIKey is PJTHKZXDWHKIQG-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H24O3/c1-3-23(20-13-7-4-8-14-20)25(28-19-27-2,22-17-11-6-12-18-22)24(26)21-15-9-5-10-16-21/h3-18,23H,1,19H2,2H3/t23-,25-/m1/s1.
What are the key properties of (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one?
(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one has a molecular weight of 372.46 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one is sourced from PubChem (CID 132538281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).