(2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate

C24H20O4 — CID 75086298

IUPAC(2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate
SMILESCOC(=O)C(OC(=O)C=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O4/c1-27-23(26)24(20-13-7-3-8-14-20,21-15-9-4-10-16-21)28-22(25)18-17-19-11-5-2-6-12-19/h2-18H,1H3
InChIKeyWGMQBFXJJKILCT-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.36
Rot. Bonds6

About (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate

(2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate (PubChem CID 75086298) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate
PubChem CID75086298
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name(2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate
SMILESCOC(=O)C(OC(=O)C=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O4/c1-27-23(26)24(20-13-7-3-8-14-20,21-15-9-4-10-16-21)28-22(25)18-17-19-11-5-2-6-12-19/h2-18H,1H3
InChIKeyWGMQBFXJJKILCT-UHFFFAOYSA-N
XLogP4.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate
CID 139630857
2-methylpentan-2-yl (E)-3-phenylprop-2-enoate
CID 143882607
O-methyl N-(3-phenylprop-2-enoyl)carbamothioate
CID 2826352
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
dimethyl (2R,3R)-2,3-bis[[(E)-3-phenylprop-2-enoyl]oxy]butanedioate
CID 10343064
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
acetyl 3-phenylprop-2-enoate
CID 57206996
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate?
The IUPAC name of (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate (CID 75086298) is (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate.
What is the SMILES notation for (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate?
The canonical SMILES for (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate is COC(=O)C(OC(=O)C=Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate?
The InChIKey is WGMQBFXJJKILCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-27-23(26)24(20-13-7-3-8-14-20,21-15-9-4-10-16-21)28-22(25)18-17-19-11-5-2-6-12-19/h2-18H,1H3.
What are the key properties of (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate?
(2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate has a molecular weight of 372.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxo-1,1-diphenylethyl) 3-phenylprop-2-enoate is sourced from PubChem (CID 75086298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).