(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate

C14H10ClFO3 — CID 1252914

IUPAC(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
SMILESO=C(OCc1cccc(F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClFO3/c15-10-4-5-13(17)12(7-10)14(18)19-8-9-2-1-3-11(16)6-9/h1-7,17H,8H2
InChIKeySOKKJBHFZROVEJ-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.54
Rot. Bonds3

About (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate

(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate (PubChem CID 1252914) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
PubChem CID1252914
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
SMILESO=C(OCc1cccc(F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClFO3/c15-10-4-5-13(17)12(7-10)14(18)19-8-9-2-1-3-11(16)6-9/h1-7,17H,8H2
InChIKeySOKKJBHFZROVEJ-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 2304436
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
(3-fluorophenyl)methyl 2-amino-4-fluorobenzoate
CID 52562632
(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
CID 55404850
(3-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814405
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444
(3-fluorophenyl)methyl (2R,3R)-2-[(5-chloro-2-fluorobenzoyl)amino]-3-hydroxybutanoate
CID 97005348
1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione
CID 776185
propyl 5-chloro-2-hydroxybenzoate
CID 43389601
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604243
(3-fluorophenyl)methyl 2-anilinobenzoate
CID 4574449

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate?
The IUPAC name of (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate (CID 1252914) is (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate?
The canonical SMILES for (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate is O=C(OCc1cccc(F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate?
The InChIKey is SOKKJBHFZROVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c15-10-4-5-13(17)12(7-10)14(18)19-8-9-2-1-3-11(16)6-9/h1-7,17H,8H2.
What are the key properties of (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate?
(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate has a molecular weight of 280.68 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 1252914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).