(2R)-1,2-diphenyl-2-prop-2-enoxyethanone

C17H16O2 — CID 10912011

IUPAC(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
SMILESC=CCO[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-13-19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h2-12,17H,1,13H2/t17-/m1/s1
InChIKeyADGZRGRPRDMSHS-QGZVFWFLSA-N
MW252.31 g/mol
LogP3.81
Rot. Bonds6

About (2R)-1,2-diphenyl-2-prop-2-enoxyethanone

(2R)-1,2-diphenyl-2-prop-2-enoxyethanone (PubChem CID 10912011) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-1,2-diphenyl-2-prop-2-enoxyethanone.

Molecular Properties

Compound Name(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
PubChem CID10912011
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
SMILESC=CCO[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-13-19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h2-12,17H,1,13H2/t17-/m1/s1
InChIKeyADGZRGRPRDMSHS-QGZVFWFLSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.81
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

2-phenyl-2-prop-2-enoxyacetate
CID 131736719
(2-oxo-1,2-diphenylethyl) but-3-enoate
CID 175286629
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
CID 736037
2-(2-chloroethoxy)-1,2-diphenylethanone
CID 12628444
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
CID 175210232
(2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone
CID 125472642

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-diphenyl-2-prop-2-enoxyethanone?
The IUPAC name of (2R)-1,2-diphenyl-2-prop-2-enoxyethanone (CID 10912011) is (2R)-1,2-diphenyl-2-prop-2-enoxyethanone.
What is the SMILES notation for (2R)-1,2-diphenyl-2-prop-2-enoxyethanone?
The canonical SMILES for (2R)-1,2-diphenyl-2-prop-2-enoxyethanone is C=CCO[C@@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1,2-diphenyl-2-prop-2-enoxyethanone?
The InChIKey is ADGZRGRPRDMSHS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-13-19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h2-12,17H,1,13H2/t17-/m1/s1.
What are the key properties of (2R)-1,2-diphenyl-2-prop-2-enoxyethanone?
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone has a molecular weight of 252.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-diphenyl-2-prop-2-enoxyethanone is sourced from PubChem (CID 10912011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).