(2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one

C23H26O2 — CID 135068197

IUPAC(2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one
SMILESC=CC[C@H]1CC(=O)[C@@](C)(c2ccccc2)[C@@H](CCc2ccccc2)O1
InChIInChI=1S/C23H26O2/c1-3-10-20-17-21(24)23(2,19-13-8-5-9-14-19)22(25-20)16-15-18-11-6-4-7-12-18/h3-9,11-14,20,22H,1,10,15-17H2,2H3/t20-,22+,23+/m0/s1
InChIKeyYTMDEDAKCDPCGF-MDNUFGMLSA-N
MW334.46 g/mol
LogP4.88
Rot. Bonds6

About (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one

(2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one (PubChem CID 135068197) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one.

Molecular Properties

Compound Name(2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one
PubChem CID135068197
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name(2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one
SMILESC=CC[C@H]1CC(=O)[C@@](C)(c2ccccc2)[C@@H](CCc2ccccc2)O1
InChIInChI=1S/C23H26O2/c1-3-10-20-17-21(24)23(2,19-13-8-5-9-14-19)22(25-20)16-15-18-11-6-4-7-12-18/h3-9,11-14,20,22H,1,10,15-17H2,2H3/t20-,22+,23+/m0/s1
InChIKeyYTMDEDAKCDPCGF-MDNUFGMLSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.88
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

(-)-Menthyl phenylacetate
CID 9993505
5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
Triphenylacetic Acid Methyl Ester
CID 231627
Ethyl diphenylacetate
CID 226748
4-Methoxy-3,6-diphenylcyclohex-4-ene-1,2-dione
CID 44583823
Ethyl beta-oxo-alpha-phenylbenzenebutanoate
CID 95325
Ethyl 2,2-dibenzyl-3-oxobutanoate
CID 521112
Ethyl 2~5~-oxo-2~2~,2~3~,2~4~,2~5~-tetrahydro(1~1~,2~1~:2~3~,3~1~-terphenyl)-2~4~-carboxylate
CID 223855
5-Hydroxy-1,6-diphenylhexan-3-one
CID 44585756
(5s)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437440
3,5-Dimethyl-2,6-diphenyloxan-4-one
CID 326146
6-Methyl-3,4-diphenyloxan-2-one
CID 100080

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?
The IUPAC name of (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one (CID 135068197) is (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one.
What is the SMILES notation for (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?
The canonical SMILES for (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one is C=CC[C@H]1CC(=O)[C@@](C)(c2ccccc2)[C@@H](CCc2ccccc2)O1.
What is the InChIKey of (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?
The InChIKey is YTMDEDAKCDPCGF-MDNUFGMLSA-N. The full InChI is InChI=1S/C23H26O2/c1-3-10-20-17-21(24)23(2,19-13-8-5-9-14-19)22(25-20)16-15-18-11-6-4-7-12-18/h3-9,11-14,20,22H,1,10,15-17H2,2H3/t20-,22+,23+/m0/s1.
What are the key properties of (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?
(2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one has a molecular weight of 334.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-3-methyl-3-phenyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one is sourced from PubChem (CID 135068197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).