2-[4-(dibromomethyl)phenyl]-1,3-dioxolane

C10H10Br2O2 — CID 139917470

IUPAC2-[4-(dibromomethyl)phenyl]-1,3-dioxolane
SMILESBrC(Br)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H10Br2O2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10H,5-6H2
InChIKeyXHJRQJMFXAYTKW-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.52
Rot. Bonds2

About 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane

2-[4-(dibromomethyl)phenyl]-1,3-dioxolane (PubChem CID 139917470) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-(dibromomethyl)phenyl]-1,3-dioxolane
PubChem CID139917470
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name2-[4-(dibromomethyl)phenyl]-1,3-dioxolane
SMILESBrC(Br)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H10Br2O2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10H,5-6H2
InChIKeyXHJRQJMFXAYTKW-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol
CID 139917472
2-[4-(difluoromethyl)phenyl]-1,3-dioxolane
CID 138980395
4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline
CID 86258852
tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane
CID 45158487
4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide
CID 171899906
2-(4-bromophenyl)-1,3-dioxolane;[4-(1,3-dioxolan-2-yl)phenyl]-trimethylstannane
CID 158283209
2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 24874395
2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
CID 170873890
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
CID 54217191
4-(1,3-dioxolan-2-yl)-1-oxidopyridin-1-ium
CID 55255748
2-(4-bromo-3-chlorophenyl)-1,3-dioxolane
CID 91619451

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane (CID 139917470) is 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane is BrC(Br)c1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane?
The InChIKey is XHJRQJMFXAYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10H,5-6H2.
What are the key properties of 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane?
2-[4-(dibromomethyl)phenyl]-1,3-dioxolane has a molecular weight of 322.00 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dibromomethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 139917470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).