methyl (E)-3-methyl-2,5-diphenylpent-2-enoate

C19H20O2 — CID 135070973

IUPACmethyl (E)-3-methyl-2,5-diphenylpent-2-enoate
SMILESCOC(=O)/C(=C(\C)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-15(13-14-16-9-5-3-6-10-16)18(19(20)21-2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b18-15+
InChIKeyFRXRVIIQFXZOGX-OBGWFSINSA-N
MW280.37 g/mol
LogP4.27
Rot. Bonds5

About methyl (E)-3-methyl-2,5-diphenylpent-2-enoate

methyl (E)-3-methyl-2,5-diphenylpent-2-enoate (PubChem CID 135070973) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl (E)-3-methyl-2,5-diphenylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methyl-2,5-diphenylpent-2-enoate
PubChem CID135070973
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namemethyl (E)-3-methyl-2,5-diphenylpent-2-enoate
SMILESCOC(=O)/C(=C(\C)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-15(13-14-16-9-5-3-6-10-16)18(19(20)21-2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b18-15+
InChIKeyFRXRVIIQFXZOGX-OBGWFSINSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.27
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 2-(2-phenylethyl)but-2-enoate
CID 162347431
methyl 2-(4-benzylphenyl)-3-methylhexa-2,5-dienoate
CID 174895063
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
benzamide;methyl 3-phenylpropanoate
CID 154677392
diethyl (Z)-2-phenyl-3-(2-phenylethyl)but-2-enedioate
CID 154407365
methyl (E)-2,5-diphenylpent-2-enoate
CID 24795397
1-O-methyl 2-O-(3-oxo-5-phenylpentyl) oxalate
CID 139293115
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl (Z)-3-methoxy-5-phenylpent-2-enoate
CID 101474318
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate
CID 57388071

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methyl-2,5-diphenylpent-2-enoate?
The IUPAC name of methyl (E)-3-methyl-2,5-diphenylpent-2-enoate (CID 135070973) is methyl (E)-3-methyl-2,5-diphenylpent-2-enoate.
What is the SMILES notation for methyl (E)-3-methyl-2,5-diphenylpent-2-enoate?
The canonical SMILES for methyl (E)-3-methyl-2,5-diphenylpent-2-enoate is COC(=O)/C(=C(\C)CCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (E)-3-methyl-2,5-diphenylpent-2-enoate?
The InChIKey is FRXRVIIQFXZOGX-OBGWFSINSA-N. The full InChI is InChI=1S/C19H20O2/c1-15(13-14-16-9-5-3-6-10-16)18(19(20)21-2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b18-15+.
What are the key properties of methyl (E)-3-methyl-2,5-diphenylpent-2-enoate?
methyl (E)-3-methyl-2,5-diphenylpent-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methyl-2,5-diphenylpent-2-enoate is sourced from PubChem (CID 135070973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).