4-(2-bromophenyl)-3,6-dihydro-2H-pyran

C11H11BrO — CID 22503115

IUPAC4-(2-bromophenyl)-3,6-dihydro-2H-pyran
SMILESBrc1ccccc1C1=CCOCC1
InChIInChI=1S/C11H11BrO/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-5H,6-8H2
InChIKeyZDELMLVIDSHCHD-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.25
Rot. Bonds1

About 4-(2-bromophenyl)-3,6-dihydro-2H-pyran

4-(2-bromophenyl)-3,6-dihydro-2H-pyran (PubChem CID 22503115) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(2-bromophenyl)-3,6-dihydro-2H-pyran
PubChem CID22503115
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name4-(2-bromophenyl)-3,6-dihydro-2H-pyran
SMILESBrc1ccccc1C1=CCOCC1
InChIInChI=1S/C11H11BrO/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-5H,6-8H2
InChIKeyZDELMLVIDSHCHD-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-(2-bromophenyl)-3,6-dihydro-2H-pyran (CID 22503115) is 4-(2-bromophenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-(2-bromophenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-(2-bromophenyl)-3,6-dihydro-2H-pyran is Brc1ccccc1C1=CCOCC1.
What is the InChIKey of 4-(2-bromophenyl)-3,6-dihydro-2H-pyran?
The InChIKey is ZDELMLVIDSHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-5H,6-8H2.
What are the key properties of 4-(2-bromophenyl)-3,6-dihydro-2H-pyran?
4-(2-bromophenyl)-3,6-dihydro-2H-pyran has a molecular weight of 239.11 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 22503115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).