[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate

C13H15FO4 — CID 101259587

IUPAC[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\CCc1cc(F)ccc1O
InChIInChI=1S/C13H15FO4/c1-17-13(16)18-8-4-2-3-5-10-9-11(14)6-7-12(10)15/h2,4,6-7,9,15H,3,5,8H2,1H3/b4-2-
InChIKeyCQMCEFWMCXKHSW-RQOWECAXSA-N
MW254.26 g/mol
LogP2.80
Rot. Bonds5

About [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate

[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate (PubChem CID 101259587) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate
PubChem CID101259587
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\CCc1cc(F)ccc1O
InChIInChI=1S/C13H15FO4/c1-17-13(16)18-8-4-2-3-5-10-9-11(14)6-7-12(10)15/h2,4,6-7,9,15H,3,5,8H2,1H3/b4-2-
InChIKeyCQMCEFWMCXKHSW-RQOWECAXSA-N
XLogP2.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminooxymethyl)-4-fluorophenol
CID 117276071
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
3-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]propanoic acid
CID 107701775
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117302939
[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
CID 101422727
3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
The IUPAC name of [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate (CID 101259587) is [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate.
What is the SMILES notation for [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
The canonical SMILES for [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate is COC(=O)OC/C=C\CCc1cc(F)ccc1O.
What is the InChIKey of [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
The InChIKey is CQMCEFWMCXKHSW-RQOWECAXSA-N. The full InChI is InChI=1S/C13H15FO4/c1-17-13(16)18-8-4-2-3-5-10-9-11(14)6-7-12(10)15/h2,4,6-7,9,15H,3,5,8H2,1H3/b4-2-.
What are the key properties of [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate has a molecular weight of 254.26 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate is sourced from PubChem (CID 101259587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).