[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate

C15H18O3 — CID 10514563

IUPAC[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
SMILESC=CC[C@@H](COCc1ccccc1)OC(=O)C=C
InChIInChI=1S/C15H18O3/c1-3-8-14(18-15(16)4-2)12-17-11-13-9-6-5-7-10-13/h3-7,9-10,14H,1-2,8,11-12H2/t14-/m0/s1
InChIKeySVFDRCLLNALMIV-AWEZNQCLSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds8

About [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate

[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate (PubChem CID 10514563) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
PubChem CID10514563
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
SMILESC=CC[C@@H](COCc1ccccc1)OC(=O)C=C
InChIInChI=1S/C15H18O3/c1-3-8-14(18-15(16)4-2)12-17-11-13-9-6-5-7-10-13/h3-7,9-10,14H,1-2,8,11-12H2/t14-/m0/s1
InChIKeySVFDRCLLNALMIV-AWEZNQCLSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-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

[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
CID 25105662
[(2S)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-4-en-2-yl] prop-2-enoate
CID 11451246
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
N-benzyl-2-(1-phenylmethoxypent-4-en-2-yloxy)ethanimine oxide
CID 14979664
N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
CID 166843275
1,3-bis(benzylsulfanyl)propan-2-yl prop-2-enoate
CID 54311286
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate?
The IUPAC name of [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate (CID 10514563) is [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate.
What is the SMILES notation for [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate?
The canonical SMILES for [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate is C=CC[C@@H](COCc1ccccc1)OC(=O)C=C.
What is the InChIKey of [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate?
The InChIKey is SVFDRCLLNALMIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-8-14(18-15(16)4-2)12-17-11-13-9-6-5-7-10-13/h3-7,9-10,14H,1-2,8,11-12H2/t14-/m0/s1.
What are the key properties of [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate?
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate is sourced from PubChem (CID 10514563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).