methyl (3S)-3-phenylpent-4-enoate

C12H14O2 — CID 10511884

IUPACmethyl (3S)-3-phenylpent-4-enoate
SMILESC=C[C@H](CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-/m1/s1
InChIKeyIFSXZCHDQCEJHG-SNVBAGLBSA-N
MW190.24 g/mol
LogP2.52
Rot. Bonds4

About methyl (3S)-3-phenylpent-4-enoate

methyl (3S)-3-phenylpent-4-enoate (PubChem CID 10511884) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl (3S)-3-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (3S)-3-phenylpent-4-enoate
PubChem CID10511884
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namemethyl (3S)-3-phenylpent-4-enoate
SMILESC=C[C@H](CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-/m1/s1
InChIKeyIFSXZCHDQCEJHG-SNVBAGLBSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
CID 124572872
methyl (3S)-3-(3-chlorophenyl)pent-4-enoate
CID 102598497
(3S)-3-phenylpent-4-enoic acid
CID 92981953
methyl (E)-3,5-diphenylpent-4-enoate
CID 15893254
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
CID 138967855
3-[methoxy(3-phenylpent-4-enoyl)amino]butanoic acid
CID 138014405
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
methyl 2-(1-phenylbut-3-enoxy)acetate
CID 11775632
2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid
CID 120516172
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
4-methyl-4-(3-phenylpent-4-enoylamino)pentanoic acid
CID 120519395

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-phenylpent-4-enoate?
The IUPAC name of methyl (3S)-3-phenylpent-4-enoate (CID 10511884) is methyl (3S)-3-phenylpent-4-enoate.
What is the SMILES notation for methyl (3S)-3-phenylpent-4-enoate?
The canonical SMILES for methyl (3S)-3-phenylpent-4-enoate is C=C[C@H](CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl (3S)-3-phenylpent-4-enoate?
The InChIKey is IFSXZCHDQCEJHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-/m1/s1.
What are the key properties of methyl (3S)-3-phenylpent-4-enoate?
methyl (3S)-3-phenylpent-4-enoate has a molecular weight of 190.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-phenylpent-4-enoate is sourced from PubChem (CID 10511884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).