prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate

C16H20O3 — CID 101387693

IUPACprop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate
SMILESC=CCOC(=O)[C@@H](CC=C)Cc1ccccc1OC
InChIInChI=1S/C16H20O3/c1-4-8-14(16(17)19-11-5-2)12-13-9-6-7-10-15(13)18-3/h4-7,9-10,14H,1-2,8,11-12H2,3H3/t14-/m0/s1
InChIKeyVNFMFFFKWQOMOG-AWEZNQCLSA-N
MW260.33 g/mol
LogP3.16
Rot. Bonds8

About prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate

prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate (PubChem CID 101387693) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate
PubChem CID101387693
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Nameprop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate
SMILESC=CCOC(=O)[C@@H](CC=C)Cc1ccccc1OC
InChIInChI=1S/C16H20O3/c1-4-8-14(16(17)19-11-5-2)12-13-9-6-7-10-15(13)18-3/h4-7,9-10,14H,1-2,8,11-12H2,3H3/t14-/m0/s1
InChIKeyVNFMFFFKWQOMOG-AWEZNQCLSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 62096110
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
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2-amino-1-(2,6-dimethoxyphenyl)pent-4-en-1-one
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2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
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ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
1-methoxy-2-(2-methylidenebut-3-enyl)benzene
CID 13111835
3-chloro-4-(2-methoxyphenyl)butan-2-one
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2-[(2-methoxyphenyl)methyl]butanal
CID 83830148
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
(2-aminoacetyl) 2-chloro-3-(2-methoxyphenyl)propanoate
CID 150902470

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate?
The IUPAC name of prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate (CID 101387693) is prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate.
What is the SMILES notation for prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate?
The canonical SMILES for prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate is C=CCOC(=O)[C@@H](CC=C)Cc1ccccc1OC.
What is the InChIKey of prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate?
The InChIKey is VNFMFFFKWQOMOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-8-14(16(17)19-11-5-2)12-13-9-6-7-10-15(13)18-3/h4-7,9-10,14H,1-2,8,11-12H2,3H3/t14-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate?
prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate has a molecular weight of 260.33 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate is sourced from PubChem (CID 101387693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).