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

C15H13BrO3 — CID 7786463

IUPAC(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate
SMILESCc1cccc(COC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H13BrO3/c1-10-3-2-4-11(7-10)9-19-15(18)13-8-12(16)5-6-14(13)17/h2-8,17H,9H2,1H3
InChIKeyUGFNWDRRNOFKAF-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.82
Rot. Bonds3

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

(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate (PubChem CID 7786463) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate
PubChem CID7786463
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate
SMILESCc1cccc(COC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H13BrO3/c1-10-3-2-4-11(7-10)9-19-15(18)13-8-12(16)5-6-14(13)17/h2-8,17H,9H2,1H3
InChIKeyUGFNWDRRNOFKAF-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444
(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 2304436
(3-methylbenzoyl) 5-bromo-2-hydroxybenzoate
CID 88725286
(3-methylphenyl)methyl 2-hydroxy-5-(2-methylheptan-2-yl)benzoate
CID 91506796
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
1,3-benzodioxol-5-ylmethyl 5-bromo-2-hydroxybenzoate
CID 7786393
[4-(benzenesulfonyl)phenyl]methyl 5-bromo-2-hydroxybenzoate
CID 1307574
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
benzyl 4-bromo-2-methylbenzoate
CID 22568915
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
CID 16525393

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate?
The IUPAC name of (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate (CID 7786463) is (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate?
The canonical SMILES for (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate is Cc1cccc(COC(=O)c2cc(Br)ccc2O)c1.
What is the InChIKey of (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate?
The InChIKey is UGFNWDRRNOFKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-10-3-2-4-11(7-10)9-19-15(18)13-8-12(16)5-6-14(13)17/h2-8,17H,9H2,1H3.
What are the key properties of (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate?
(3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate has a molecular weight of 321.17 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 7786463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).