methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate

C11H11BrO5 — CID 142693317

IUPACmethyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C2OCCO2)cc(Br)c1O
InChIInChI=1S/C11H11BrO5/c1-15-10(14)7-4-6(5-8(12)9(7)13)11-16-2-3-17-11/h4-5,11,13H,2-3H2,1H3
InChIKeyWEKWGMPJJHGDHQ-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.99
Rot. Bonds2

About methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate

methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate (PubChem CID 142693317) has the molecular formula C11H11BrO5 and a molecular weight of 303.11 g/mol. Its IUPAC name is methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate
PubChem CID142693317
Molecular FormulaC11H11BrO5
Molecular Weight303.11 g/mol
Exact Mass301.98
IUPAC Namemethyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C2OCCO2)cc(Br)c1O
InChIInChI=1S/C11H11BrO5/c1-15-10(14)7-4-6(5-8(12)9(7)13)11-16-2-3-17-11/h4-5,11,13H,2-3H2,1H3
InChIKeyWEKWGMPJJHGDHQ-UHFFFAOYSA-N
XLogP1.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
CID 170874053
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815
[2-bromo-4-(1,3-dioxolan-2-yl)-6-methoxyphenyl] acetate
CID 170874264
methyl 5-(5,5-dimethyl-1,3-dioxan-2-yl)-2,3-difluorobenzoate
CID 135125901
methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
CID 117390616
methyl 2-bromo-4-(4H-1,3-dioxin-2-yl)benzoate
CID 67528860
methyl 3,4-diamino-5-bromo-2-hydroxybenzoate
CID 23046711
2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane
CID 138376231
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
methyl 3-acetyl-5-bromo-4-hydroxybenzoate
CID 15818980
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CID 26369957

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate?
The IUPAC name of methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate (CID 142693317) is methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate?
The canonical SMILES for methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate is COC(=O)c1cc(C2OCCO2)cc(Br)c1O.
What is the InChIKey of methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate?
The InChIKey is WEKWGMPJJHGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO5/c1-15-10(14)7-4-6(5-8(12)9(7)13)11-16-2-3-17-11/h4-5,11,13H,2-3H2,1H3.
What are the key properties of methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate?
methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate has a molecular weight of 303.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate is sourced from PubChem (CID 142693317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).