methyl (E)-2,5-diphenylpent-2-enoate

C18H18O2 — CID 24795397

IUPACmethyl (E)-2,5-diphenylpent-2-enoate
SMILESCOC(=O)/C(=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-14H,8,11H2,1H3/b17-14+
InChIKeyXVOFVWPUPJXIKV-SAPNQHFASA-N
MW266.34 g/mol
LogP3.88
Rot. Bonds5

About methyl (E)-2,5-diphenylpent-2-enoate

methyl (E)-2,5-diphenylpent-2-enoate (PubChem CID 24795397) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (E)-2,5-diphenylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2,5-diphenylpent-2-enoate
PubChem CID24795397
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl (E)-2,5-diphenylpent-2-enoate
SMILESCOC(=O)/C(=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-14H,8,11H2,1H3/b17-14+
InChIKeyXVOFVWPUPJXIKV-SAPNQHFASA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate
CID 177485671
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
methyl (E)-2-phenyloct-2-enoate
CID 13480316
methyl (Z)-2-[[[(Z)-2-methoxycarbonyl-5-phenylpent-2-enyl]disulfanyl]methyl]-5-phenylpent-2-enoate
CID 11984275
dimethyl (Z)-2,3-bis[(E)-4-phenylbut-1-enyl]but-2-enedioate
CID 11211860
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
methyl 2-(2-phenylethyl)but-2-enoate
CID 162347431
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl (Z)-2-(1-hydroxy-3-phenylpropyl)hept-2-enoate
CID 132595570
methyl (E)-3-methyl-2,5-diphenylpent-2-enoate
CID 135070973

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2,5-diphenylpent-2-enoate?
The IUPAC name of methyl (E)-2,5-diphenylpent-2-enoate (CID 24795397) is methyl (E)-2,5-diphenylpent-2-enoate.
What is the SMILES notation for methyl (E)-2,5-diphenylpent-2-enoate?
The canonical SMILES for methyl (E)-2,5-diphenylpent-2-enoate is COC(=O)/C(=C/CCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (E)-2,5-diphenylpent-2-enoate?
The InChIKey is XVOFVWPUPJXIKV-SAPNQHFASA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18(19)17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-14H,8,11H2,1H3/b17-14+.
What are the key properties of methyl (E)-2,5-diphenylpent-2-enoate?
methyl (E)-2,5-diphenylpent-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2,5-diphenylpent-2-enoate is sourced from PubChem (CID 24795397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).