(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid

C15H18O4 — CID 126526206

IUPAC(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid
SMILESCOC/C(=C/C(=O)O)COC/C=C/c1ccccc1
InChIInChI=1S/C15H18O4/c1-18-11-14(10-15(16)17)12-19-9-5-8-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H,16,17)/b8-5+,14-10-
InChIKeyYJNKPQJANYQPMR-OMPPTPSCSA-N
MW262.31 g/mol
LogP2.37
Rot. Bonds8

About (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid

(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid (PubChem CID 126526206) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid
PubChem CID126526206
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid
SMILESCOC/C(=C/C(=O)O)COC/C=C/c1ccccc1
InChIInChI=1S/C15H18O4/c1-18-11-14(10-15(16)17)12-19-9-5-8-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H,16,17)/b8-5+,14-10-
InChIKeyYJNKPQJANYQPMR-OMPPTPSCSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
CID 11310604
methyl 2-diazo-3-oxo-4-[(E)-3-phenylprop-2-enoxy]butanoate
CID 101171958
1-[(E)-3-phenylprop-2-enoxy]propan-2-yl acetate
CID 59099845
1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
CID 76931527
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
CID 103074242
N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
CID 103074243
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid?
The IUPAC name of (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid (CID 126526206) is (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid.
What is the SMILES notation for (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid?
The canonical SMILES for (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid is COC/C(=C/C(=O)O)COC/C=C/c1ccccc1.
What is the InChIKey of (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid?
The InChIKey is YJNKPQJANYQPMR-OMPPTPSCSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-11-14(10-15(16)17)12-19-9-5-8-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H,16,17)/b8-5+,14-10-.
What are the key properties of (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid?
(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid is sourced from PubChem (CID 126526206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).