2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane

C17H16Br2O2 — CID 146018490

IUPAC2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane
SMILESBrc1ccc(CC2(Cc3ccc(Br)cc3)OCCO2)cc1
InChIInChI=1S/C17H16Br2O2/c18-15-5-1-13(2-6-15)11-17(20-9-10-21-17)12-14-3-7-16(19)8-4-14/h1-8H,9-12H2
InChIKeyJZFQQEIOGXVWEA-UHFFFAOYSA-N
MW412.12 g/mol
LogP4.74
Rot. Bonds4

About 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane

2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane (PubChem CID 146018490) has the molecular formula C17H16Br2O2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane
PubChem CID146018490
Molecular FormulaC17H16Br2O2
Molecular Weight412.12 g/mol
Exact Mass409.95
IUPAC Name2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane
SMILESBrc1ccc(CC2(Cc3ccc(Br)cc3)OCCO2)cc1
InChIInChI=1S/C17H16Br2O2/c18-15-5-1-13(2-6-15)11-17(20-9-10-21-17)12-14-3-7-16(19)8-4-14/h1-8H,9-12H2
InChIKeyJZFQQEIOGXVWEA-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.12
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane (CID 146018490) is 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane is Brc1ccc(CC2(Cc3ccc(Br)cc3)OCCO2)cc1.
What is the InChIKey of 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane?
The InChIKey is JZFQQEIOGXVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O2/c18-15-5-1-13(2-6-15)11-17(20-9-10-21-17)12-14-3-7-16(19)8-4-14/h1-8H,9-12H2.
What are the key properties of 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane?
2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane has a molecular weight of 412.12 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(4-bromophenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 146018490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).