(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one

C25H24O2 — CID 134955659

IUPAC(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one
SMILESC=C[C@H](c1ccc(C)cc1)[C@](OC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O2/c1-4-23(20-17-15-19(2)16-18-20)25(27-3,22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21/h4-18,23H,1H2,2-3H3/t23-,25+/m1/s1
InChIKeyOGNJBZKBZLGFOK-NOZRDPDXSA-N
MW356.47 g/mol
LogP5.69
Rot. Bonds7

About (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one

(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one (PubChem CID 134955659) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one.

Molecular Properties

Compound Name(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one
PubChem CID134955659
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one
SMILESC=C[C@H](c1ccc(C)cc1)[C@](OC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O2/c1-4-23(20-17-15-19(2)16-18-20)25(27-3,22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21/h4-18,23H,1H2,2-3H3/t23-,25+/m1/s1
InChIKeyOGNJBZKBZLGFOK-NOZRDPDXSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-methoxy-1,2-diphenyl-3-[4-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 132538275
(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
CID 132538281
(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
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one
CID 19878476
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
N-(1,1,2-triphenylbut-3-enyl)benzamide
CID 175544491
2,3-dibromo-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 11974529
N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
CID 175544554
2-methoxy-2-methylperoxy-1,2-diphenylethanone;prop-2-enoic acid
CID 88598506

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one?
The IUPAC name of (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one (CID 134955659) is (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one.
What is the SMILES notation for (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one?
The canonical SMILES for (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one is C=C[C@H](c1ccc(C)cc1)[C@](OC)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one?
The InChIKey is OGNJBZKBZLGFOK-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H24O2/c1-4-23(20-17-15-19(2)16-18-20)25(27-3,22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21/h4-18,23H,1H2,2-3H3/t23-,25+/m1/s1.
What are the key properties of (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one?
(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one has a molecular weight of 356.47 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one is sourced from PubChem (CID 134955659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).