methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate

C19H18O3 — CID 141471676

IUPACmethyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1-c1ccccc1)CC1CO1
InChIInChI=1S/C19H18O3/c1-21-19(20)16(12-17-13-22-17)11-15-9-5-6-10-18(15)14-7-3-2-4-8-14/h2-11,17H,12-13H2,1H3/b16-11-
InChIKeyZOIIDPOZWQNADI-WJDWOHSUSA-N
MW294.35 g/mol
LogP3.70
Rot. Bonds5

About methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate

methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate (PubChem CID 141471676) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate
PubChem CID141471676
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namemethyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1-c1ccccc1)CC1CO1
InChIInChI=1S/C19H18O3/c1-21-19(20)16(12-17-13-22-17)11-15-9-5-6-10-18(15)14-7-3-2-4-8-14/h2-11,17H,12-13H2,1H3/b16-11-
InChIKeyZOIIDPOZWQNADI-WJDWOHSUSA-N
XLogP3.70
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl benzoate;3-(oxiran-2-yl)propan-1-ol
CID 174580613
1-(2-methylprop-1-enyl)-2-phenylbenzene
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methyl (E)-3-(2-chlorophenyl)-2-[[(5S)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl]prop-2-enoate
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(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]-2-methylprop-2-enoic acid
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methyl (2E)-2-[(2-methylphenyl)methylidene]-4-(4-methylpiperidin-1-yl)-4-oxobutanoate
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methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate
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1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
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2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
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methyl (E)-2-benzyl-3-[2-(diazomethyl)phenyl]prop-2-enoate
CID 138982955
oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate
CID 87121058
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate (CID 141471676) is methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate is COC(=O)/C(=C\c1ccccc1-c1ccccc1)CC1CO1.
What is the InChIKey of methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate?
The InChIKey is ZOIIDPOZWQNADI-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-19(20)16(12-17-13-22-17)11-15-9-5-6-10-18(15)14-7-3-2-4-8-14/h2-11,17H,12-13H2,1H3/b16-11-.
What are the key properties of methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate?
methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(oxiran-2-ylmethyl)-3-(2-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 141471676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).