bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol

C10H11BrO3 — CID 139917472

IUPACbromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol
SMILESOC(Br)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H11BrO3/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10,12H,5-6H2
InChIKeyOUJSNQMRCSVNAL-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.12
Rot. Bonds2

About bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol

bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol (PubChem CID 139917472) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol.

Molecular Properties

Compound Namebromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol
PubChem CID139917472
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Namebromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol
SMILESOC(Br)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H11BrO3/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10,12H,5-6H2
InChIKeyOUJSNQMRCSVNAL-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol?
The IUPAC name of bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol (CID 139917472) is bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol.
What is the SMILES notation for bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol?
The canonical SMILES for bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol is OC(Br)c1ccc(C2OCCO2)cc1.
What is the InChIKey of bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol?
The InChIKey is OUJSNQMRCSVNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10,12H,5-6H2.
What are the key properties of bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol?
bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol has a molecular weight of 259.10 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol is sourced from PubChem (CID 139917472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).