methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate

C11H11FO3 — CID 169478909

IUPACmethyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(CO)cc1F
InChIInChI=1S/C11H11FO3/c1-15-11(14)5-4-9-3-2-8(7-13)6-10(9)12/h2-6,13H,7H2,1H3
InChIKeyZFIAIZOQEAIUGG-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.50
Rot. Bonds3

About methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate

methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate (PubChem CID 169478909) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate
PubChem CID169478909
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(CO)cc1F
InChIInChI=1S/C11H11FO3/c1-15-11(14)5-4-9-3-2-8(7-13)6-10(9)12/h2-6,13H,7H2,1H3
InChIKeyZFIAIZOQEAIUGG-UHFFFAOYSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
methyl 3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 131865158
methyl (E)-3-(5-ethyl-2-fluorophenyl)prop-2-enoate
CID 89360118
[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930
methyl (E)-3-(2,3,4-trifluorophenyl)prop-2-enoate
CID 131886234
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
2-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-fluorophenyl]acetic acid
CID 169480725
methyl 3-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
CID 156757982
methyl 3-[2-(hydroxymethyl)-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 169479615
[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455042
2-[4-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)phenyl]acetic acid
CID 169479353

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate (CID 169478909) is methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate is COC(=O)C=Cc1ccc(CO)cc1F.
What is the InChIKey of methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate?
The InChIKey is ZFIAIZOQEAIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-15-11(14)5-4-9-3-2-8(7-13)6-10(9)12/h2-6,13H,7H2,1H3.
What are the key properties of methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate?
methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate has a molecular weight of 210.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 169478909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).