2-(1-bromonaphthalen-2-yl)-1,3-dioxolane

C13H11BrO2 — CID 10660291

IUPAC2-(1-bromonaphthalen-2-yl)-1,3-dioxolane
SMILESBrc1c(C2OCCO2)ccc2ccccc12
InChIInChI=1S/C13H11BrO2/c14-12-10-4-2-1-3-9(10)5-6-11(12)13-15-7-8-16-13/h1-6,13H,7-8H2
InChIKeyJCUOPTIEBAXOSV-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.65
Rot. Bonds1

About 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane

2-(1-bromonaphthalen-2-yl)-1,3-dioxolane (PubChem CID 10660291) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-1,3-dioxolane
PubChem CID10660291
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name2-(1-bromonaphthalen-2-yl)-1,3-dioxolane
SMILESBrc1c(C2OCCO2)ccc2ccccc12
InChIInChI=1S/C13H11BrO2/c14-12-10-4-2-1-3-9(10)5-6-11(12)13-15-7-8-16-13/h1-6,13H,7-8H2
InChIKeyJCUOPTIEBAXOSV-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane (CID 10660291) is 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane is Brc1c(C2OCCO2)ccc2ccccc12.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane?
The InChIKey is JCUOPTIEBAXOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c14-12-10-4-2-1-3-9(10)5-6-11(12)13-15-7-8-16-13/h1-6,13H,7-8H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane?
2-(1-bromonaphthalen-2-yl)-1,3-dioxolane has a molecular weight of 279.13 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)-1,3-dioxolane is sourced from PubChem (CID 10660291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).