methyl (E)-5-(2-methoxyphenyl)pent-3-enoate

C13H16O3 — CID 101147955

IUPACmethyl (E)-5-(2-methoxyphenyl)pent-3-enoate
SMILESCOC(=O)C/C=C/Cc1ccccc1OC
InChIInChI=1S/C13H16O3/c1-15-12-9-5-3-7-11(12)8-4-6-10-13(14)16-2/h3-7,9H,8,10H2,1-2H3/b6-4+
InChIKeyLKRBSKULUZGEQE-GQCTYLIASA-N
MW220.27 g/mol
LogP2.36
Rot. Bonds5

About methyl (E)-5-(2-methoxyphenyl)pent-3-enoate

methyl (E)-5-(2-methoxyphenyl)pent-3-enoate (PubChem CID 101147955) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (E)-5-(2-methoxyphenyl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-(2-methoxyphenyl)pent-3-enoate
PubChem CID101147955
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl (E)-5-(2-methoxyphenyl)pent-3-enoate
SMILESCOC(=O)C/C=C/Cc1ccccc1OC
InChIInChI=1S/C13H16O3/c1-15-12-9-5-3-7-11(12)8-4-6-10-13(14)16-2/h3-7,9H,8,10H2,1-2H3/b6-4+
InChIKeyLKRBSKULUZGEQE-GQCTYLIASA-N
XLogP2.36
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 ≤ 52.36
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

methyl (E)-5-(2-fluorophenyl)pent-3-enoate
CID 101147953
methyl (Z)-5-(2-bromophenyl)pent-3-enoate
CID 117267944
(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
methyl (E)-5-[2-[methyl(nitroso)amino]phenyl]pent-3-enoate
CID 172777186
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
[2-[4-(2-acetyloxyphenyl)but-2-enyl]phenyl] acetate
CID 123328089
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
CID 159607739
methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate
CID 117267991
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-(2-methoxyphenyl)pent-3-enoate?
The IUPAC name of methyl (E)-5-(2-methoxyphenyl)pent-3-enoate (CID 101147955) is methyl (E)-5-(2-methoxyphenyl)pent-3-enoate.
What is the SMILES notation for methyl (E)-5-(2-methoxyphenyl)pent-3-enoate?
The canonical SMILES for methyl (E)-5-(2-methoxyphenyl)pent-3-enoate is COC(=O)C/C=C/Cc1ccccc1OC.
What is the InChIKey of methyl (E)-5-(2-methoxyphenyl)pent-3-enoate?
The InChIKey is LKRBSKULUZGEQE-GQCTYLIASA-N. The full InChI is InChI=1S/C13H16O3/c1-15-12-9-5-3-7-11(12)8-4-6-10-13(14)16-2/h3-7,9H,8,10H2,1-2H3/b6-4+.
What are the key properties of methyl (E)-5-(2-methoxyphenyl)pent-3-enoate?
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-(2-methoxyphenyl)pent-3-enoate is sourced from PubChem (CID 101147955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).