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

C14H10Br2O3 — CID 7786444

IUPAC(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
SMILESO=C(OCc1cccc(Br)c1)c1cc(Br)ccc1O
InChIInChI=1S/C14H10Br2O3/c15-10-3-1-2-9(6-10)8-19-14(18)12-7-11(16)4-5-13(12)17/h1-7,17H,8H2
InChIKeyZYRSBYDNPPTFHD-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.27
Rot. Bonds3

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

(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate (PubChem CID 7786444) has the molecular formula C14H10Br2O3 and a molecular weight of 386.04 g/mol. Its IUPAC name is (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
PubChem CID7786444
Molecular FormulaC14H10Br2O3
Molecular Weight386.04 g/mol
Exact Mass383.90
IUPAC Name(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
SMILESO=C(OCc1cccc(Br)c1)c1cc(Br)ccc1O
InChIInChI=1S/C14H10Br2O3/c15-10-3-1-2-9(6-10)8-19-14(18)12-7-11(16)4-5-13(12)17/h1-7,17H,8H2
InChIKeyZYRSBYDNPPTFHD-UHFFFAOYSA-N
XLogP4.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786463
(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 2304436
(3-bromophenyl)methyl 2-amino-3,5-dibromobenzoate
CID 82823318
(3-bromophenyl)methyl 2-sulfanylbenzoate
CID 107018986
1,3-benzodioxol-5-ylmethyl 5-bromo-2-hydroxybenzoate
CID 7786393
[4-(benzenesulfonyl)phenyl]methyl 5-bromo-2-hydroxybenzoate
CID 1307574
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7209518
2-O-[(3-bromophenyl)methyl] 1-O-butyl benzene-1,2-dicarboxylate
CID 91720489
(3-bromophenyl)methyl 3-aminobenzoate
CID 60665536
(3-bromophenyl)methyl 2-amino-4-methoxybenzoate
CID 115281028

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate?
The IUPAC name of (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate (CID 7786444) is (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate?
The canonical SMILES for (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate is O=C(OCc1cccc(Br)c1)c1cc(Br)ccc1O.
What is the InChIKey of (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate?
The InChIKey is ZYRSBYDNPPTFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3/c15-10-3-1-2-9(6-10)8-19-14(18)12-7-11(16)4-5-13(12)17/h1-7,17H,8H2.
What are the key properties of (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate?
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate has a molecular weight of 386.04 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 7786444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).