methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate

C11H10ClFO3 — CID 170500822

IUPACmethyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate
SMILESCOC(=O)CC=Cc1cc(F)cc(Cl)c1O
InChIInChI=1S/C11H10ClFO3/c1-16-10(14)4-2-3-7-5-8(13)6-9(12)11(7)15/h2-3,5-6,15H,4H2,1H3
InChIKeyYXVJVWBAHOOXBT-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.76
Rot. Bonds3

About methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate

methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate (PubChem CID 170500822) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate
PubChem CID170500822
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Namemethyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate
SMILESCOC(=O)CC=Cc1cc(F)cc(Cl)c1O
InChIInChI=1S/C11H10ClFO3/c1-16-10(14)4-2-3-7-5-8(13)6-9(12)11(7)15/h2-3,5-6,15H,4H2,1H3
InChIKeyYXVJVWBAHOOXBT-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,5-dichloro-4-hydroxyphenyl)but-3-enoate
CID 170500825
2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
CID 117290378
methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate
CID 170500473
S-[3-(3-chloro-5-fluoro-2-hydroxyphenyl)prop-2-enyl] ethanethioate
CID 169457138
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996
methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
methyl 4-(3,4,5-trichlorophenyl)but-3-enoate
CID 170500693
methyl (E)-4-(5-fluoro-3-methyl-1H-indol-7-yl)but-3-enoate
CID 89320664
methyl 4-(4-chloro-2-methoxyphenyl)but-3-enoate
CID 170500761
methyl 4-(3-fluoro-2-methylphenyl)but-3-enoate
CID 170500422
2-chloro-4-fluoro-6-methanimidoylphenol
CID 137299658
ethyl 4-(5-fluoro-2-hydroxy-3-nitrophenyl)but-3-enoate
CID 170796810

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate?
The IUPAC name of methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate (CID 170500822) is methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate.
What is the SMILES notation for methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate?
The canonical SMILES for methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate is COC(=O)CC=Cc1cc(F)cc(Cl)c1O.
What is the InChIKey of methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate?
The InChIKey is YXVJVWBAHOOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c1-16-10(14)4-2-3-7-5-8(13)6-9(12)11(7)15/h2-3,5-6,15H,4H2,1H3.
What are the key properties of methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate?
methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate has a molecular weight of 244.65 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate is sourced from PubChem (CID 170500822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).