methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate

C11H11FO3 — CID 170500473

IUPACmethyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate
SMILESCOC(=O)CC=Cc1cc(O)cc(F)c1
InChIInChI=1S/C11H11FO3/c1-15-11(14)4-2-3-8-5-9(12)7-10(13)6-8/h2-3,5-7,13H,4H2,1H3
InChIKeyGYVVTYABGQBBRS-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.11
Rot. Bonds3

About methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate

methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate (PubChem CID 170500473) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate
PubChem CID170500473
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate
SMILESCOC(=O)CC=Cc1cc(O)cc(F)c1
InChIInChI=1S/C11H11FO3/c1-15-11(14)4-2-3-8-5-9(12)7-10(13)6-8/h2-3,5-7,13H,4H2,1H3
InChIKeyGYVVTYABGQBBRS-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
CID 169473191
methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate
CID 170500822
methyl 4-(3,4,5-trichlorophenyl)but-3-enoate
CID 170500693
S-[3-(3-fluoro-5-hydroxyphenyl)prop-2-enyl] ethanethioate
CID 169456781
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996
methyl 4-(3-chloro-5-formylphenyl)but-3-enoate
CID 170500784
4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile
CID 170799259
3-(4-methoxy-4-oxobut-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 170501796
methyl 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enoate
CID 170501385
methyl 4-(4-amino-3-hydroxyphenyl)but-3-enoate
CID 170500638
methyl 4-(3-amino-5-chlorophenyl)but-3-enoate
CID 170500565

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate?
The IUPAC name of methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate (CID 170500473) is methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate.
What is the SMILES notation for methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate?
The canonical SMILES for methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate is COC(=O)CC=Cc1cc(O)cc(F)c1.
What is the InChIKey of methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate?
The InChIKey is GYVVTYABGQBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-15-11(14)4-2-3-8-5-9(12)7-10(13)6-8/h2-3,5-7,13H,4H2,1H3.
What are the key properties of methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate?
methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate has a molecular weight of 210.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate is sourced from PubChem (CID 170500473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).