1-bromo-2-phenylbenzene;oxolane

C16H17BrO — CID 174944885

IUPAC1-bromo-2-phenylbenzene;oxolane
SMILESBrc1ccccc1-c1ccccc1.C1CCOC1
InChIInChI=1S/C12H9Br.C4H8O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-4-5-3-1/h1-9H;1-4H2
InChIKeyUTAQYVPIKKNKFQ-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.91
Rot. Bonds1

About 1-bromo-2-phenylbenzene;oxolane

1-bromo-2-phenylbenzene;oxolane (PubChem CID 174944885) has the molecular formula C16H17BrO and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-bromo-2-phenylbenzene;oxolane.

Molecular Properties

Compound Name1-bromo-2-phenylbenzene;oxolane
PubChem CID174944885
Molecular FormulaC16H17BrO
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name1-bromo-2-phenylbenzene;oxolane
SMILESBrc1ccccc1-c1ccccc1.C1CCOC1
InChIInChI=1S/C12H9Br.C4H8O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-4-5-3-1/h1-9H;1-4H2
InChIKeyUTAQYVPIKKNKFQ-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylbenzene;oxolane?
The IUPAC name of 1-bromo-2-phenylbenzene;oxolane (CID 174944885) is 1-bromo-2-phenylbenzene;oxolane.
What is the SMILES notation for 1-bromo-2-phenylbenzene;oxolane?
The canonical SMILES for 1-bromo-2-phenylbenzene;oxolane is Brc1ccccc1-c1ccccc1.C1CCOC1.
What is the InChIKey of 1-bromo-2-phenylbenzene;oxolane?
The InChIKey is UTAQYVPIKKNKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br.C4H8O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-4-5-3-1/h1-9H;1-4H2.
What are the key properties of 1-bromo-2-phenylbenzene;oxolane?
1-bromo-2-phenylbenzene;oxolane has a molecular weight of 305.21 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylbenzene;oxolane is sourced from PubChem (CID 174944885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).