2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane

C14H13BrO2 — CID 607997

IUPAC2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane
SMILESBrCC1(c2ccc3ccccc3c2)OCCO1
InChIInChI=1S/C14H13BrO2/c15-10-14(16-7-8-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyICBRDCHYCWKNBH-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.43
Rot. Bonds2

About 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane

2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane (PubChem CID 607997) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane
PubChem CID607997
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane
SMILESBrCC1(c2ccc3ccccc3c2)OCCO1
InChIInChI=1S/C14H13BrO2/c15-10-14(16-7-8-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyICBRDCHYCWKNBH-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane?
The IUPAC name of 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane (CID 607997) is 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane?
The canonical SMILES for 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane is BrCC1(c2ccc3ccccc3c2)OCCO1.
What is the InChIKey of 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane?
The InChIKey is ICBRDCHYCWKNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c15-10-14(16-7-8-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2.
What are the key properties of 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane?
2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane has a molecular weight of 293.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane is sourced from PubChem (CID 607997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).