methyl (Z)-3-methoxy-5-phenylpent-2-enoate

C13H16O3 — CID 101474318

IUPACmethyl (Z)-3-methoxy-5-phenylpent-2-enoate
SMILESCOC(=O)/C=C(/CCc1ccccc1)OC
InChIInChI=1S/C13H16O3/c1-15-12(10-13(14)16-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10-
InChIKeyXKKCBLXZEIDYDC-BENRWUELSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds5

About methyl (Z)-3-methoxy-5-phenylpent-2-enoate

methyl (Z)-3-methoxy-5-phenylpent-2-enoate (PubChem CID 101474318) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-5-phenylpent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-5-phenylpent-2-enoate
PubChem CID101474318
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl (Z)-3-methoxy-5-phenylpent-2-enoate
SMILESCOC(=O)/C=C(/CCc1ccccc1)OC
InChIInChI=1S/C13H16O3/c1-15-12(10-13(14)16-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10-
InChIKeyXKKCBLXZEIDYDC-BENRWUELSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-3-methoxy-5-phenylpent-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

methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
methyl 3-ethyl-5-phenylpent-2-enoate
CID 71347838
3-methoxy-7-phenylhept-2-enoic acid
CID 71400862
methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate
CID 101474320
methyl 2-(2-phenylethyl)but-2-enoate
CID 162347431
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl (E)-3-methyl-2,5-diphenylpent-2-enoate
CID 135070973
dimethyl (Z)-2-phenylmethoxybut-2-enedioate
CID 10988690
tert-butyl (Z)-3,5-diphenylpent-2-enoate
CID 118672322
methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
CID 82543594
dimethyl 4-(1-amino-4-phenylbutan-2-ylidene)pent-2-enedioate
CID 174793520
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methoxy-5-phenylpent-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-5-phenylpent-2-enoate (CID 101474318) is methyl (Z)-3-methoxy-5-phenylpent-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-5-phenylpent-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-5-phenylpent-2-enoate is COC(=O)/C=C(/CCc1ccccc1)OC.
What is the InChIKey of methyl (Z)-3-methoxy-5-phenylpent-2-enoate?
The InChIKey is XKKCBLXZEIDYDC-BENRWUELSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-12(10-13(14)16-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10-.
What are the key properties of methyl (Z)-3-methoxy-5-phenylpent-2-enoate?
methyl (Z)-3-methoxy-5-phenylpent-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxy-5-phenylpent-2-enoate is sourced from PubChem (CID 101474318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).