methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate

C15H18O3 — CID 101079952

IUPACmethyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
SMILESC=CCO[C@](CC=C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H18O3/c1-4-11-15(14(16)17-3,18-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3/t15-/m0/s1
InChIKeyXHNHZKWAQHGWRQ-HNNXBMFYSA-N
MW246.31 g/mol
LogP2.83
Rot. Bonds7

About methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate

methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate (PubChem CID 101079952) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
PubChem CID101079952
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namemethyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
SMILESC=CCO[C@](CC=C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H18O3/c1-4-11-15(14(16)17-3,18-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3/t15-/m0/s1
InChIKeyXHNHZKWAQHGWRQ-HNNXBMFYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-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

[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
CID 103464935
methyl 2-benzyl-2-cyanopent-4-enoate
CID 122226201
methyl N-(2,2-diphenylpent-4-enyl)carbamate
CID 135072663
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
CID 135143039
fluoro 2-methyl-2-phenylpent-4-enoate
CID 143008077
methyl 3-[[2-(hydroxymethyl)-2-phenylpent-4-enoyl]amino]-2,2,3-trimethylbutanoate
CID 59887350
methyl (2R)-2-(3-fluorophenyl)-2-hydroxypent-4-enoate
CID 23656504

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate?
The IUPAC name of methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate (CID 101079952) is methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate?
The canonical SMILES for methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate is C=CCO[C@](CC=C)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate?
The InChIKey is XHNHZKWAQHGWRQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-11-15(14(16)17-3,18-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate?
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate has a molecular weight of 246.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate is sourced from PubChem (CID 101079952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).