methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate

C14H10ClFO3 — CID 53219725

IUPACmethyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(O)cc(F)c2)cc1Cl
InChIInChI=1S/C14H10ClFO3/c1-19-14(18)12-3-2-8(6-13(12)15)9-4-10(16)7-11(17)5-9/h2-7,17H,1H3
InChIKeyJURAZMHACSXCFU-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.64
Rot. Bonds2

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

methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate (PubChem CID 53219725) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate
PubChem CID53219725
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Namemethyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(O)cc(F)c2)cc1Cl
InChIInChI=1S/C14H10ClFO3/c1-19-14(18)12-3-2-8(6-13(12)15)9-4-10(16)7-11(17)5-9/h2-7,17H,1H3
InChIKeyJURAZMHACSXCFU-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
3-(3-chloro-4-methoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53228476
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 3-chloro-2,5-difluorobenzoate
CID 79018120
methyl 4-(2-aminopyrimidin-5-yl)-2-chlorobenzoate
CID 67223256
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353
4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
CID 53228500

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
The IUPAC name of methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate (CID 53219725) is methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate.
What is the SMILES notation for methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
The canonical SMILES for methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate is COC(=O)c1ccc(-c2cc(O)cc(F)c2)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
The InChIKey is JURAZMHACSXCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-19-14(18)12-3-2-8(6-13(12)15)9-4-10(16)7-11(17)5-9/h2-7,17H,1H3.
What are the key properties of methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate has a molecular weight of 280.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate is sourced from PubChem (CID 53219725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).