methyl 3-(2-phenylphenyl)but-3-enoate

C17H16O2 — CID 162401170

IUPACmethyl 3-(2-phenylphenyl)but-3-enoate
SMILESC=C(CC(=O)OC)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(12-17(18)19-2)15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3
InChIKeyYYBRQVBJYJOPNS-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.93
Rot. Bonds4

About methyl 3-(2-phenylphenyl)but-3-enoate

methyl 3-(2-phenylphenyl)but-3-enoate (PubChem CID 162401170) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 3-(2-phenylphenyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 3-(2-phenylphenyl)but-3-enoate
PubChem CID162401170
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl 3-(2-phenylphenyl)but-3-enoate
SMILESC=C(CC(=O)OC)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(12-17(18)19-2)15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3
InChIKeyYYBRQVBJYJOPNS-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid
CID 70600588
methyl 2-(2-phenylanilino)acetate
CID 28569437
1-(1-azulen-1-ylethenyl)azulene
CID 21389906
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
methyl 3-benzoylbut-3-enoate
CID 10845850
methyl 2-isocyano-3-phenylbenzoate
CID 71497474
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737
acetylene;2-phenylbenzoic acid
CID 67726329
methyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate
CID 10714116
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenylphenyl)but-3-enoate?
The IUPAC name of methyl 3-(2-phenylphenyl)but-3-enoate (CID 162401170) is methyl 3-(2-phenylphenyl)but-3-enoate.
What is the SMILES notation for methyl 3-(2-phenylphenyl)but-3-enoate?
The canonical SMILES for methyl 3-(2-phenylphenyl)but-3-enoate is C=C(CC(=O)OC)c1ccccc1-c1ccccc1.
What is the InChIKey of methyl 3-(2-phenylphenyl)but-3-enoate?
The InChIKey is YYBRQVBJYJOPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(12-17(18)19-2)15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3.
What are the key properties of methyl 3-(2-phenylphenyl)but-3-enoate?
methyl 3-(2-phenylphenyl)but-3-enoate has a molecular weight of 252.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenylphenyl)but-3-enoate is sourced from PubChem (CID 162401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).