(2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone

C17H16O3 — CID 125472642

IUPAC(2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone
SMILESC=CCO[C@@H](O)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-2-12-20-17(19)16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11,17,19H,1,12H2/t17-/m1/s1
InChIKeyMWBMTEXEDNYDSA-QGZVFWFLSA-N
MW268.31 g/mol
LogP3.06
Rot. Bonds6

About (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone

(2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone (PubChem CID 125472642) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone
PubChem CID125472642
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone
SMILESC=CCO[C@@H](O)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-2-12-20-17(19)16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11,17,19H,1,12H2/t17-/m1/s1
InChIKeyMWBMTEXEDNYDSA-QGZVFWFLSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
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)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
dimethyl 2-(4-phenylbenzoyl)propanedioate
CID 10852564
3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one
CID 134942515
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
methyl 3-(methylamino)-4-oxo-4-(4-phenylphenyl)butanoate
CID 82348093
4-phenylbenzoic acid;prop-2-enamide
CID 68663596
2-phenyl-2-prop-2-enoxyacetate
CID 131736719
ethyl 3-oxo-2-(4-phenylbenzoyl)butanoate
CID 2756667
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone?
The IUPAC name of (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone (CID 125472642) is (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone?
The canonical SMILES for (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone is C=CCO[C@@H](O)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone?
The InChIKey is MWBMTEXEDNYDSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-12-20-17(19)16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11,17,19H,1,12H2/t17-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone?
(2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone has a molecular weight of 268.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-(4-phenylphenyl)-2-prop-2-enoxyethanone is sourced from PubChem (CID 125472642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).