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

C14H10BrFO3 — CID 2304436

IUPAC(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
SMILESO=C(OCc1cccc(F)c1)c1cc(Br)ccc1O
InChIInChI=1S/C14H10BrFO3/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
InChIKeyFPQXUVFWMWZMGM-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.65
Rot. Bonds3

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

(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate (PubChem CID 2304436) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
PubChem CID2304436
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Name(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
SMILESO=C(OCc1cccc(F)c1)c1cc(Br)ccc1O
InChIInChI=1S/C14H10BrFO3/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
InChIKeyFPQXUVFWMWZMGM-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444
(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786463
(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 1252914
(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
CID 55404850
(3-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814405
(3-fluorophenyl)methyl 2-amino-4-fluorobenzoate
CID 52562632
[4-(benzenesulfonyl)phenyl]methyl 5-bromo-2-hydroxybenzoate
CID 1307574
1,3-benzodioxol-5-ylmethyl 5-bromo-2-hydroxybenzoate
CID 7786393
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
(3-carbamoylphenyl)methyl 4-bromo-2-fluorobenzoate
CID 55634593
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
(3-fluorophenyl)methyl 3-bromothiophene-2-carboxylate
CID 78902302

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate?
The IUPAC name of (3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate (CID 2304436) is (3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate?
The canonical SMILES for (3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate is O=C(OCc1cccc(F)c1)c1cc(Br)ccc1O.
What is the InChIKey of (3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate?
The InChIKey is FPQXUVFWMWZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/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-bromo-2-hydroxybenzoate?
(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate has a molecular weight of 325.13 g/mol, XLogP of 3.65, 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-bromo-2-hydroxybenzoate is sourced from PubChem (CID 2304436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).