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

C18H18O2 — CID 118455591

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

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

methyl (Z)-3,5-diphenylpent-2-enoate (PubChem CID 118455591) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (Z)-3,5-diphenylpent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3,5-diphenylpent-2-enoate
PubChem CID118455591
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl (Z)-3,5-diphenylpent-2-enoate
SMILESCOC(=O)/C=C(/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/b17-14-
InChIKeyWECGCBAAFVASJE-VKAVYKQESA-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'}

Analyze methyl (Z)-3,5-diphenylpent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (Z)-3,5-diphenylpent-2-enoate
CID 118672322
methyl (Z)-3-methoxy-5-phenylpent-2-enoate
CID 101474318
methyl 3-ethyl-5-phenylpent-2-enoate
CID 71347838
methyl 2-(2-phenylethyl)but-2-enoate
CID 162347431
(E)-1,1,1,4,6-pentakis-phenylhex-3-en-2-one
CID 5376836
methyl (E)-3-phenylbut-2-enoate
CID 5354835
benzamide;methyl 3-phenylpropanoate
CID 154677392
methyl (E)-3-methyl-2,5-diphenylpent-2-enoate
CID 135070973
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3,5-diphenylpent-2-enoate?
The IUPAC name of methyl (Z)-3,5-diphenylpent-2-enoate (CID 118455591) is methyl (Z)-3,5-diphenylpent-2-enoate.
What is the SMILES notation for methyl (Z)-3,5-diphenylpent-2-enoate?
The canonical SMILES for methyl (Z)-3,5-diphenylpent-2-enoate is COC(=O)/C=C(/CCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (Z)-3,5-diphenylpent-2-enoate?
The InChIKey is WECGCBAAFVASJE-VKAVYKQESA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18(19)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/b17-14-.
What are the key properties of methyl (Z)-3,5-diphenylpent-2-enoate?
methyl (Z)-3,5-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 (Z)-3,5-diphenylpent-2-enoate is sourced from PubChem (CID 118455591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).